N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide

C20H13Cl2N3O — CID 24742926

IUPACN-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)nc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3O/c21-17-4-2-1-3-16(17)19-8-7-15(12-24-19)20(26)25-11-14-6-5-13(10-23)9-18(14)22/h1-9,12H,11H2,(H,25,26)
InChIKeyIOHTYDCDVCHWCJ-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.86
Rot. Bonds4

About N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide

N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 24742926) has the molecular formula C20H13Cl2N3O and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide
PubChem CID24742926
Molecular FormulaC20H13Cl2N3O
Molecular Weight382.25 g/mol
Exact Mass381.04
IUPAC NameN-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)nc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3O/c21-17-4-2-1-3-16(17)19-8-7-15(12-24-19)20(26)25-11-14-6-5-13(10-23)9-18(14)22/h1-9,12H,11H2,(H,25,26)
InChIKeyIOHTYDCDVCHWCJ-UHFFFAOYSA-N
XLogP4.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chlorophenyl)-N-[(2-chloro-4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 143530829
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
CID 102663839
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
6-[(2-chlorophenyl)methylamino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109156828
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62269659
(2S)-2-[(2-chloro-4-cyanophenyl)methylamino]propanoic acid
CID 102669063

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide (CID 24742926) is N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide is N#Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)nc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is IOHTYDCDVCHWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O/c21-17-4-2-1-3-16(17)19-8-7-15(12-24-19)20(26)25-11-14-6-5-13(10-23)9-18(14)22/h1-9,12H,11H2,(H,25,26).
What are the key properties of N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide?
N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyanophenyl)methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24742926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).