5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide

C25H23Cl3N2O — CID 10127897

IUPAC5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C25H23Cl3N2O/c26-17-9-7-16(8-10-17)20-13-14-23(25(31)29-19-5-3-1-2-4-6-19)30-24(20)21-12-11-18(27)15-22(21)28/h7-15,19H,1-6H2,(H,29,31)
InChIKeyMSQOMIZPPUECAT-UHFFFAOYSA-N
MW473.83 g/mol
LogP7.83
Rot. Bonds4

About 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide

5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 10127897) has the molecular formula C25H23Cl3N2O and a molecular weight of 473.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID10127897
Molecular FormulaC25H23Cl3N2O
Molecular Weight473.83 g/mol
Exact Mass472.09
IUPAC Name5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C25H23Cl3N2O/c26-17-9-7-16(8-10-17)20-13-14-23(25(31)29-19-5-3-1-2-4-6-19)30-24(20)21-12-11-18(27)15-22(21)28/h7-15,19H,1-6H2,(H,29,31)
InChIKeyMSQOMIZPPUECAT-UHFFFAOYSA-N
XLogP7.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CID 1345
N-[(2r)-Butan-2-Yl]-1-(2-Chlorophenyl)-N-Methylisoquinoline-3-Carboxamide
CID 24839733
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide C-11
CID 450825
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
CID 6603767
1-[2-(2,4-dichlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801005
Pyridine amide, 9
CID 44237001
Pyridine amide, 27
CID 44237002
(3,4-Dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10550047
N-methyl N-phenylmethyl 1-(2-chloro phenyl) isoquinoline 3-carboxamide
CID 13272371
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-(111C)methylisoquinoline-3-carboxamide
CID 13272374
1-[5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-1-methylpyrrole-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 49863244
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methylacetamide
CID 53356519

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide (CID 10127897) is 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is O=C(NC1CCCCCC1)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is MSQOMIZPPUECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O/c26-17-9-7-16(8-10-17)20-13-14-23(25(31)29-19-5-3-1-2-4-6-19)30-24(20)21-12-11-18(27)15-22(21)28/h7-15,19H,1-6H2,(H,29,31).
What are the key properties of 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide?
5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 473.83 g/mol, XLogP of 7.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cycloheptyl-6-(2,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 10127897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).