N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide

C156H141N35O15 — CID 159869654

IUPACN-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESC=CC(=O)CC12CC(C(=O)Nc3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)(C1)C2.C=CC(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)CC1.C=CC(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)nn2)CC1.C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)Nc1ccc(-c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)cc1.C=CC(=O)Nc1cccc(-c2cn(-c3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)nn2)c1
InChIInChI=1S/2C27H21N7O2.C26H25N7O2.C26H24N4O3.2C25H25N5O3/c1-2-26(35)29-20-11-9-18(10-12-20)25-17-34(33-32-25)22-6-3-5-21(15-22)30-27(36)24-8-4-7-23(31-24)19-13-14-28-16-19;1-2-26(35)29-21-6-3-5-18(15-21)25-17-34(33-32-25)22-11-9-20(10-12-22)30-27(36)24-8-4-7-23(31-24)19-13-14-28-16-19;1-2-25(34)32-14-11-18(12-15-32)24-17-33(31-30-24)21-8-6-20(7-9-21)28-26(35)23-5-3-4-22(29-23)19-10-13-27-16-19;1-2-20(31)12-25-14-26(15-25,16-25)24(33)29-19-8-6-18(7-9-19)28-23(32)22-5-3-4-21(30-22)17-10-11-27-13-17;1-2-23(31)30-14-4-5-18(16-30)24(32)27-19-8-10-20(11-9-19)28-25(33)22-7-3-6-21(29-22)17-12-13-26-15-17;1-2-23(31)30-14-11-17(12-15-30)24(32)27-19-6-8-20(9-7-19)28-25(33)22-5-3-4-21(29-22)18-10-13-26-16-18/h2*2-15,17H,1,16H2,(H,29,35)(H,30,36);2-10,13,17-18H,1,11-12,14-16H2,(H,28,35);2-11H,1,12-16H2,(H,28,32)(H,29,33);2-3,6-13,18H,1,4-5,14-16H2,(H,27,32)(H,28,33);2-10,13,17H,1,11-12,14-16H2,(H,27,32)(H,28,33)
InChIKeyNSEGJCMNMBIOTM-UHFFFAOYSA-N
MW2746.07 g/mol
LogP22.01
Rot. Bonds40

About N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide

N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide (PubChem CID 159869654) has the molecular formula C156H141N35O15 and a molecular weight of 2746.07 g/mol. Its IUPAC name is N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
PubChem CID159869654
Molecular FormulaC156H141N35O15
Molecular Weight2746.07 g/mol
Exact Mass2744.13
IUPAC NameN-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESC=CC(=O)CC12CC(C(=O)Nc3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)(C1)C2.C=CC(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)CC1.C=CC(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)nn2)CC1.C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)Nc1ccc(-c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)cc1.C=CC(=O)Nc1cccc(-c2cn(-c3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)nn2)c1
InChIInChI=1S/2C27H21N7O2.C26H25N7O2.C26H24N4O3.2C25H25N5O3/c1-2-26(35)29-20-11-9-18(10-12-20)25-17-34(33-32-25)22-6-3-5-21(15-22)30-27(36)24-8-4-7-23(31-24)19-13-14-28-16-19;1-2-26(35)29-21-6-3-5-18(15-21)25-17-34(33-32-25)22-11-9-20(10-12-22)30-27(36)24-8-4-7-23(31-24)19-13-14-28-16-19;1-2-25(34)32-14-11-18(12-15-32)24-17-33(31-30-24)21-8-6-20(7-9-21)28-26(35)23-5-3-4-22(29-23)19-10-13-27-16-19;1-2-20(31)12-25-14-26(15-25,16-25)24(33)29-19-8-6-18(7-9-19)28-23(32)22-5-3-4-21(30-22)17-10-11-27-13-17;1-2-23(31)30-14-4-5-18(16-30)24(32)27-19-8-10-20(11-9-19)28-25(33)22-7-3-6-21(29-22)17-12-13-26-15-17;1-2-23(31)30-14-11-17(12-15-30)24(32)27-19-6-8-20(9-7-19)28-25(33)22-5-3-4-21(29-22)18-10-13-26-16-18/h2*2-15,17H,1,16H2,(H,29,35)(H,30,36);2-10,13,17-18H,1,11-12,14-16H2,(H,28,35);2-11H,1,12-16H2,(H,28,32)(H,29,33);2-3,6-13,18H,1,4-5,14-16H2,(H,27,32)(H,28,33);2-10,13,17H,1,11-12,14-16H2,(H,27,32)(H,28,33)
InChIKeyNSEGJCMNMBIOTM-UHFFFAOYSA-N
XLogP22.01
TPSA641.73 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002746.07
LogP ≤ 522.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[4-[3-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[4-(2-oxobut-3-enyl)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidin-3-yl)carbamoyl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(1H-pyrrol-2-yl)pyridine-2-carboxamide
CID 160824228
N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557540
N-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
N-[5-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 166761161
[3-[1-[4-[(6-bromopyridine-2-carbonyl)amino]phenyl]triazol-4-yl]phenyl]carbamic acid
CID 134543890
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
(3S)-N-[4-[amino-[(Z)-2-amino-2-[6-(1H-pyrazol-5-yl)-2-pyridinyl]ethenyl]amino]phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 174163276
N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413075
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167971343
2-[4-[3-[(1-phenylmethoxycarbonylpiperidine-3-carbonyl)amino]phenyl]triazol-1-yl]acetic acid
CID 127043478
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411311
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide (CID 159869654) is N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide is C=CC(=O)CC12CC(C(=O)Nc3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)(C1)C2.C=CC(=O)N1CCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)CC1.C=CC(=O)N1CCC(c2cn(-c3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)nn2)CC1.C=CC(=O)N1CCCC(C(=O)Nc2ccc(NC(=O)c3cccc(C4=CC=NC4)n3)cc2)C1.C=CC(=O)Nc1ccc(-c2cn(-c3cccc(NC(=O)c4cccc(C5=CC=NC5)n4)c3)nn2)cc1.C=CC(=O)Nc1cccc(-c2cn(-c3ccc(NC(=O)c4cccc(C5=CC=NC5)n4)cc3)nn2)c1.
What is the InChIKey of N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
The InChIKey is NSEGJCMNMBIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N7O2.C26H25N7O2.C26H24N4O3.2C25H25N5O3/c1-2-26(35)29-20-11-9-18(10-12-20)25-17-34(33-32-25)22-6-3-5-21(15-22)30-27(36)24-8-4-7-23(31-24)19-13-14-28-16-19;1-2-26(35)29-21-6-3-5-18(15-21)25-17-34(33-32-25)22-11-9-20(10-12-22)30-27(36)24-8-4-7-23(31-24)19-13-14-28-16-19;1-2-25(34)32-14-11-18(12-15-32)24-17-33(31-30-24)21-8-6-20(7-9-21)28-26(35)23-5-3-4-22(29-23)19-10-13-27-16-19;1-2-20(31)12-25-14-26(15-25,16-25)24(33)29-19-8-6-18(7-9-19)28-23(32)22-5-3-4-21(30-22)17-10-11-27-13-17;1-2-23(31)30-14-4-5-18(16-30)24(32)27-19-8-10-20(11-9-19)28-25(33)22-7-3-6-21(29-22)17-12-13-26-15-17;1-2-23(31)30-14-11-17(12-15-30)24(32)27-19-6-8-20(9-7-19)28-25(33)22-5-3-4-21(29-22)18-10-13-26-16-18/h2*2-15,17H,1,16H2,(H,29,35)(H,30,36);2-10,13,17-18H,1,11-12,14-16H2,(H,28,35);2-11H,1,12-16H2,(H,28,32)(H,29,33);2-3,6-13,18H,1,4-5,14-16H2,(H,27,32)(H,28,33);2-10,13,17H,1,11-12,14-16H2,(H,27,32)(H,28,33).
What are the key properties of N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide?
N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide has a molecular weight of 2746.07 g/mol, XLogP of 22.01, 40 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-oxobut-3-enyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[3-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-[3-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide;N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)triazol-1-yl]phenyl]-6-(2H-pyrrol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 159869654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).