5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide

C20H15ClN4O — CID 109233968

IUPAC5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cncc(NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H15ClN4O/c21-19-4-2-1-3-15(19)12-24-18-9-16(11-23-13-18)20(26)25-17-7-5-14(10-22)6-8-17/h1-9,11,13,24H,12H2,(H,25,26)
InChIKeyQFZMWDBIHCDHKM-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.47
Rot. Bonds5

About 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide

5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109233968) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
PubChem CID109233968
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cncc(NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H15ClN4O/c21-19-4-2-1-3-15(19)12-24-18-9-16(11-23-13-18)20(26)25-17-7-5-14(10-22)6-8-17/h1-9,11,13,24H,12H2,(H,25,26)
InChIKeyQFZMWDBIHCDHKM-UHFFFAOYSA-N
XLogP4.47
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109233966
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
6-[(2-chlorophenyl)methylamino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109156828
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
5-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 53252163

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide (CID 109233968) is 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cncc(NCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is QFZMWDBIHCDHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-19-4-2-1-3-15(19)12-24-18-9-16(11-23-13-18)20(26)25-17-7-5-14(10-22)6-8-17/h1-9,11,13,24H,12H2,(H,25,26).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).