N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide

C20H15ClN4O — CID 109190063

IUPACN-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C20H15ClN4O/c21-16-5-1-15(2-6-16)12-24-20(26)19-10-9-18(13-23-19)25-17-7-3-14(11-22)4-8-17/h1-10,13,25H,12H2,(H,24,26)
InChIKeyVOSDLLGQWXJTLU-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.28
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109190063) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
PubChem CID109190063
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C20H15ClN4O/c21-16-5-1-15(2-6-16)12-24-20(26)19-10-9-18(13-23-19)25-17-7-3-14(11-22)4-8-17/h1-10,13,25H,12H2,(H,24,26)
InChIKeyVOSDLLGQWXJTLU-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-[(4-cyanophenyl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641090
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
5-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193758
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
N-[(4-chlorophenyl)methyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109329082
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide (CID 109190063) is N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide is N#Cc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is VOSDLLGQWXJTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-16-5-1-15(2-6-16)12-24-20(26)19-10-9-18(13-23-19)25-17-7-3-14(11-22)4-8-17/h1-10,13,25H,12H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-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-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109190063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).