6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide

C163H144N24O19 — CID 159088950

IUPAC6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Cc1ccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)cc1.C=CC(=O)NC1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)CC1.C=CC(=O)N[C@H]1CCC[C@@H](C(=O)Cc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)n3)cc2)c1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4cnoc4)n3)cc2)c1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(C4=CCN=C4)n3)cc2)c1
InChIInChI=1S/C30H24N2O3.C27H23N5O3.C27H28N4O3.C27H22N4O3.C26H27N5O3.C26H20N4O4/c1-2-26(33)19-21-11-15-24(16-12-21)29(34)20-22-13-17-25(18-14-22)31-30(35)28-10-6-9-27(32-28)23-7-4-3-5-8-23;1-3-26(34)29-22-7-4-6-19(15-22)25(33)14-18-10-12-21(13-11-18)30-27(35)24-9-5-8-23(31-24)20-16-28-32(2)17-20;2*1-2-26(33)29-22-6-3-5-19(16-22)25(32)15-18-9-11-21(12-10-18)30-27(34)24-8-4-7-23(31-24)20-13-14-28-17-20;1-2-24(32)28-19-8-6-17(7-9-19)25(33)29-20-10-12-21(13-11-20)30-26(34)23-5-3-4-22(31-23)18-14-15-27-16-18;1-2-25(32)28-21-6-3-5-18(14-21)24(31)13-17-9-11-20(12-10-17)29-26(33)23-8-4-7-22(30-23)19-15-27-34-16-19/h2-18H,1,19-20H2,(H,31,35);3-13,15-17H,1,14H2,2H3,(H,29,34)(H,30,35);2,4,7-14,19,22H,1,3,5-6,15-17H2,(H,29,33)(H,30,34);2-13,16-17H,1,14-15H2,(H,29,33)(H,30,34);2-5,10-15,17,19H,1,6-9,16H2,(H,28,32)(H,29,33)(H,30,34);2-12,14-16H,1,13H2,(H,28,32)(H,29,33)/t;;19-,22+;;;/m..1.../s1
InChIKeyKBURVUQIZKXQKK-SNOJVMOMSA-N
MW2743.09 g/mol
LogP26.27
Rot. Bonds48

About 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide

6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide (PubChem CID 159088950) has the molecular formula C163H144N24O19 and a molecular weight of 2743.09 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
PubChem CID159088950
Molecular FormulaC163H144N24O19
Molecular Weight2743.09 g/mol
Exact Mass2741.10
IUPAC Name6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESC=CC(=O)Cc1ccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)cc1.C=CC(=O)NC1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)CC1.C=CC(=O)N[C@H]1CCC[C@@H](C(=O)Cc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)n3)cc2)c1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4cnoc4)n3)cc2)c1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(C4=CCN=C4)n3)cc2)c1
InChIInChI=1S/C30H24N2O3.C27H23N5O3.C27H28N4O3.C27H22N4O3.C26H27N5O3.C26H20N4O4/c1-2-26(33)19-21-11-15-24(16-12-21)29(34)20-22-13-17-25(18-14-22)31-30(35)28-10-6-9-27(32-28)23-7-4-3-5-8-23;1-3-26(34)29-22-7-4-6-19(15-22)25(33)14-18-10-12-21(13-11-18)30-27(35)24-9-5-8-23(31-24)20-16-28-32(2)17-20;2*1-2-26(33)29-22-6-3-5-19(16-22)25(32)15-18-9-11-21(12-10-18)30-27(34)24-8-4-7-23(31-24)20-13-14-28-17-20;1-2-24(32)28-19-8-6-17(7-9-19)25(33)29-20-10-12-21(13-11-20)30-26(34)23-5-3-4-22(31-23)18-14-15-27-16-18;1-2-25(32)28-21-6-3-5-18(14-21)24(31)13-17-9-11-20(12-10-17)29-26(33)23-8-4-7-22(30-23)19-15-27-34-16-19/h2-18H,1,19-20H2,(H,31,35);3-13,15-17H,1,14H2,2H3,(H,29,34)(H,30,35);2,4,7-14,19,22H,1,3,5-6,15-17H2,(H,29,33)(H,30,34);2-13,16-17H,1,14-15H2,(H,29,33)(H,30,34);2-5,10-15,17,19H,1,6-9,16H2,(H,28,32)(H,29,33)(H,30,34);2-12,14-16H,1,13H2,(H,28,32)(H,29,33)/t;;19-,22+;;;/m..1.../s1
InChIKeyKBURVUQIZKXQKK-SNOJVMOMSA-N
XLogP26.27
TPSA609.89 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002743.09
LogP ≤ 526.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

(2S)-2-cycloheptyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;(2S)-2-cycloheptyl-4-(2-ethylpyrazol-3-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(1S)-1-cycloheptyl-3-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopropyl]-2-propan-2-ylpyrazole-3-carboxamide;(2S)-2-cyclohexyl-4-(3-ethyl-1,2-oxazol-4-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide
CID 159752161
(2S)-2-cycloheptyl-4-(3-ethyl-1,2-oxazol-4-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-cycloheptyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;(2S)-2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2S)-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanamide
CID 162025617
(2S)-2-cycloheptyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;(2S)-2-cycloheptyl-4-(2-ethylpyrazol-3-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;N-[(1S)-1-cycloheptyl-3-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxopropyl]-2-propan-2-ylpyrazole-3-carboxamide;(2S)-2-cyclohexyl-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;(2S)-2-cyclohexyl-4-(3-ethyl-1,2-oxazol-4-yl)-N-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide
CID 167668387
CID 157805048
CID 157805048
N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone
CID 158202579
methane;6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
CID 158537699
2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 159758719

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide (CID 159088950) is 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide is C=CC(=O)Cc1ccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4ccccc4)n3)cc2)cc1.C=CC(=O)NC1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)CC1.C=CC(=O)N[C@H]1CCC[C@@H](C(=O)Cc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)n3)cc2)c1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(-c4cnoc4)n3)cc2)c1.C=CC(=O)Nc1cccc(C(=O)Cc2ccc(NC(=O)c3cccc(C4=CCN=C4)n3)cc2)c1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
The InChIKey is KBURVUQIZKXQKK-SNOJVMOMSA-N. The full InChI is InChI=1S/C30H24N2O3.C27H23N5O3.C27H28N4O3.C27H22N4O3.C26H27N5O3.C26H20N4O4/c1-2-26(33)19-21-11-15-24(16-12-21)29(34)20-22-13-17-25(18-14-22)31-30(35)28-10-6-9-27(32-28)23-7-4-3-5-8-23;1-3-26(34)29-22-7-4-6-19(15-22)25(33)14-18-10-12-21(13-11-18)30-27(35)24-9-5-8-23(31-24)20-16-28-32(2)17-20;2*1-2-26(33)29-22-6-3-5-19(16-22)25(32)15-18-9-11-21(12-10-18)30-27(34)24-8-4-7-23(31-24)20-13-14-28-17-20;1-2-24(32)28-19-8-6-17(7-9-19)25(33)29-20-10-12-21(13-11-20)30-26(34)23-5-3-4-22(31-23)18-14-15-27-16-18;1-2-25(32)28-21-6-3-5-18(14-21)24(31)13-17-9-11-20(12-10-17)29-26(33)23-8-4-7-22(30-23)19-15-27-34-16-19/h2-18H,1,19-20H2,(H,31,35);3-13,15-17H,1,14H2,2H3,(H,29,34)(H,30,35);2,4,7-14,19,22H,1,3,5-6,15-17H2,(H,29,33)(H,30,34);2-13,16-17H,1,14-15H2,(H,29,33)(H,30,34);2-5,10-15,17,19H,1,6-9,16H2,(H,28,32)(H,29,33)(H,30,34);2-12,14-16H,1,13H2,(H,28,32)(H,29,33)/t;;19-,22+;;;/m..1.../s1.
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide has a molecular weight of 2743.09 g/mol, XLogP of 26.27, 48 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;6-(1,2-oxazol-4-yl)-N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]phenyl]-6-phenylpyridine-2-carboxamide;N-[4-[2-oxo-2-[(1R,3S)-3-(prop-2-enoylamino)cyclohexyl]ethyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[2-oxo-2-[3-(prop-2-enoylamino)phenyl]ethyl]phenyl]-6-(2H-pyrrol-4-yl)pyridine-2-carboxamide;N-[4-[[4-(prop-2-enoylamino)cyclohexanecarbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 159088950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).