5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline

C76H102N10O7 — CID 164978420

IUPAC5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline
SMILESCCCOCCOCCOc1ccc(/C=C/c2ccc(NCC3=CC(C)(C)N(O)C3(C)C)cc2)cn1.CN(C)c1ccc(/C=C/c2ccc(NC3=CC(C)(C)N(O)C3(C)C)nc2)cc1.CN(C)c1ccc(/C=C/c2ccc(OCC3=CC(C)(C)N(O)C3(C)C)nc2)cc1
InChIInChI=1S/C29H41N3O4.C24H31N3O2.C23H30N4O/c1-6-15-34-16-17-35-18-19-36-27-14-11-24(21-31-27)8-7-23-9-12-26(13-10-23)30-22-25-20-28(2,3)32(33)29(25,4)5;1-23(2)15-20(24(3,4)27(23)28)17-29-22-14-11-19(16-25-22)8-7-18-9-12-21(13-10-18)26(5)6;1-22(2)15-20(23(3,4)27(22)28)25-21-14-11-18(16-24-21)8-7-17-9-12-19(13-10-17)26(5)6/h7-14,20-21,30,33H,6,15-19,22H2,1-5H3;7-16,28H,17H2,1-6H3;7-16,28H,1-6H3,(H,24,25)/b3*8-7+
InChIKeyFLDKTQORIQHJQF-SLDMBMQTSA-N
MW1267.71 g/mol
LogP15.44
Rot. Bonds25

About 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline

5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline (PubChem CID 164978420) has the molecular formula C76H102N10O7 and a molecular weight of 1267.71 g/mol. Its IUPAC name is 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline.

Molecular Properties

Compound Name5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline
PubChem CID164978420
Molecular FormulaC76H102N10O7
Molecular Weight1267.71 g/mol
Exact Mass1266.79
IUPAC Name5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline
SMILESCCCOCCOCCOc1ccc(/C=C/c2ccc(NCC3=CC(C)(C)N(O)C3(C)C)cc2)cn1.CN(C)c1ccc(/C=C/c2ccc(NC3=CC(C)(C)N(O)C3(C)C)nc2)cc1.CN(C)c1ccc(/C=C/c2ccc(OCC3=CC(C)(C)N(O)C3(C)C)nc2)cc1
InChIInChI=1S/C29H41N3O4.C24H31N3O2.C23H30N4O/c1-6-15-34-16-17-35-18-19-36-27-14-11-24(21-31-27)8-7-23-9-12-26(13-10-23)30-22-25-20-28(2,3)32(33)29(25,4)5;1-23(2)15-20(24(3,4)27(23)28)17-29-22-14-11-19(16-25-22)8-7-18-9-12-21(13-10-18)26(5)6;1-22(2)15-20(23(3,4)27(22)28)25-21-14-11-18(16-24-21)8-7-17-9-12-19(13-10-17)26(5)6/h7-14,20-21,30,33H,6,15-19,22H2,1-5H3;7-16,28H,17H2,1-6H3;7-16,28H,1-6H3,(H,24,25)/b3*8-7+
InChIKeyFLDKTQORIQHJQF-SLDMBMQTSA-N
XLogP15.44
TPSA176.54 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.71
LogP ≤ 515.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[7-(5-fluoropyrimidin-2-yl)-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
CID 143935886
4-methyl-N-[4-[[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-pyridinyl]oxy]cyclohexyl]aniline
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N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine
CID 58060495
N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]-4-phenylmethoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 117927854
N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]-4-phenylmethoxy-N-piperidin-3-ylpyrimidin-2-amine
CID 117928032
20-Methyl-24-oxa-5,7,14,17,20,26-hexazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene
CID 134238348
2-N-(1-phenylethyl)-6-propan-2-yloxypyridine-2,3-diamine;6-propan-2-yloxy-2-N-(1-pyridin-2-ylethyl)pyridine-2,3-diamine
CID 144790165
4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine
CID 144795223
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)pyridin-2-amine;5-[(E)-2-[4-[2-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)ethyl]phenyl]ethenyl]-2-[2-(2-propoxyethoxy)ethoxy]pyridine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
CID 159986399
N-methyl-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline
CID 160072831
1-[4-[2-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]-4-pyridinyl]phenyl]-3-benzyl-1-[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]urea
CID 166690382
6-[1-[[4-[(4E)-2-(2-amino-3-pyridinyl)-5-methylimino-4-propylideneimidazol-1-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 171495692

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline?
The IUPAC name of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline (CID 164978420) is 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline.
What is the SMILES notation for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline?
The canonical SMILES for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline is CCCOCCOCCOc1ccc(/C=C/c2ccc(NCC3=CC(C)(C)N(O)C3(C)C)cc2)cn1.CN(C)c1ccc(/C=C/c2ccc(NC3=CC(C)(C)N(O)C3(C)C)nc2)cc1.CN(C)c1ccc(/C=C/c2ccc(OCC3=CC(C)(C)N(O)C3(C)C)nc2)cc1.
What is the InChIKey of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline?
The InChIKey is FLDKTQORIQHJQF-SLDMBMQTSA-N. The full InChI is InChI=1S/C29H41N3O4.C24H31N3O2.C23H30N4O/c1-6-15-34-16-17-35-18-19-36-27-14-11-24(21-31-27)8-7-23-9-12-26(13-10-23)30-22-25-20-28(2,3)32(33)29(25,4)5;1-23(2)15-20(24(3,4)27(23)28)17-29-22-14-11-19(16-25-22)8-7-18-9-12-21(13-10-18)26(5)6;1-22(2)15-20(23(3,4)27(22)28)25-21-14-11-18(16-24-21)8-7-17-9-12-19(13-10-17)26(5)6/h7-14,20-21,30,33H,6,15-19,22H2,1-5H3;7-16,28H,17H2,1-6H3;7-16,28H,1-6H3,(H,24,25)/b3*8-7+.
What are the key properties of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline?
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline has a molecular weight of 1267.71 g/mol, XLogP of 15.44, 25 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)pyridin-2-amine;4-[(E)-2-[6-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline;N-[(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)methyl]-4-[(E)-2-[6-[2-(2-propoxyethoxy)ethoxy]-3-pyridinyl]ethenyl]aniline is sourced from PubChem (CID 164978420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).