N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide

C20H15ClN4O — CID 109233871

IUPACN-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2cncc(C(=O)NCc3ccccc3Cl)c2)c1
InChIInChI=1S/C20H15ClN4O/c21-19-7-2-1-5-15(19)12-24-20(26)16-9-18(13-23-11-16)25-17-6-3-4-14(8-17)10-22/h1-9,11,13,25H,12H2,(H,24,26)
InChIKeyDSLQBHBSHQVAIO-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.28
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109233871) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
PubChem CID109233871
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2cncc(C(=O)NCc3ccccc3Cl)c2)c1
InChIInChI=1S/C20H15ClN4O/c21-19-7-2-1-5-15(19)12-24-20(26)16-9-18(13-23-11-16)25-17-6-3-4-14(8-17)10-22/h1-9,11,13,25H,12H2,(H,24,26)
InChIKeyDSLQBHBSHQVAIO-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

N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223386
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109233968
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide (CID 109233871) is N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide is N#Cc1cccc(Nc2cncc(C(=O)NCc3ccccc3Cl)c2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is DSLQBHBSHQVAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-19-7-2-1-5-15(19)12-24-20(26)16-9-18(13-23-11-16)25-17-6-3-4-14(8-17)10-22/h1-9,11,13,25H,12H2,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-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]-5-(3-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109233871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).