6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine

C27H23ClN4 — CID 91052720

IUPAC6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(C4=CCC=NC4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C27H23ClN4/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-22-6-3-9-27(29)31-22)20-12-10-19(11-13-20)21-5-4-16-30-17-21/h1-3,5-16H,4,17-18H2,(H2,29,31)
InChIKeyOZVMANGZLQBSKM-UHFFFAOYSA-N
MW438.96 g/mol
LogP6.36
Rot. Bonds5

About 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 91052720) has the molecular formula C27H23ClN4 and a molecular weight of 438.96 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID91052720
Molecular FormulaC27H23ClN4
Molecular Weight438.96 g/mol
Exact Mass438.16
IUPAC Name6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(C4=CCC=NC4)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C27H23ClN4/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-22-6-3-9-27(29)31-22)20-12-10-19(11-13-20)21-5-4-16-30-17-21/h1-3,5-16H,4,17-18H2,(H2,29,31)
InChIKeyOZVMANGZLQBSKM-UHFFFAOYSA-N
XLogP6.36
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

N-((3S,4S)-4-((6-Amino-4-methylpyridin-2-YL)methyl)pyrrolidin-3-YL)-N'-(4-chlorobenzyl)ethane-1,2-diamine
CID 24798097
N-((3R,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N'-(3-chlorobenzyl)ethane-1,2-diamine
CID 25021186
N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946
6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl}-pyridin-2-ylamine
CID 15512769
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(4-chlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 24990311
4-N-[5-chloro-4-[6-[(2-chlorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405064
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(4-pyrrolidin-1-ylcyclohexyl)pyridin-2-amine
CID 68405603
4-N-[5-chloro-4-[6-[(4-methylphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 70793943
2-(2-(6-chloropyridin-3-yl)-4-p-tolyl-1H-imidazol-1-yl)ethanamine
CID 25163038
N'-[(3R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine
CID 49837182
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine
CID 57400987
4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline
CID 72546779

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine (CID 91052720) is 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3ccc(C4=CCC=NC4)cc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is OZVMANGZLQBSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-22-6-3-9-27(29)31-22)20-12-10-19(11-13-20)21-5-4-16-30-17-21/h1-3,5-16H,4,17-18H2,(H2,29,31).
What are the key properties of 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 438.96 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-5-[4-(2,5-dihydropyridin-3-yl)phenyl]pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 91052720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).