N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide

C20H15ClN4O — CID 109170782

IUPACN-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1
InChIInChI=1S/C20H15ClN4O/c21-18-7-2-1-5-16(18)13-24-20(26)15-8-9-23-19(11-15)25-17-6-3-4-14(10-17)12-22/h1-11H,13H2,(H,23,25)(H,24,26)
InChIKeyXKPZQIQNMWNELG-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.28
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109170782) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
PubChem CID109170782
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1
InChIInChI=1S/C20H15ClN4O/c21-18-7-2-1-5-16(18)13-24-20(26)15-8-9-23-19(11-15)25-17-6-3-4-14(10-17)12-22/h1-11H,13H2,(H,23,25)(H,24,26)
InChIKeyXKPZQIQNMWNELG-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide (CID 109170782) is N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide is N#Cc1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is XKPZQIQNMWNELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-18-7-2-1-5-16(18)13-24-20(26)15-8-9-23-19(11-15)25-17-6-3-4-14(10-17)12-22/h1-11H,13H2,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109170782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).