6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide

C20H15ClN4O — CID 109163549

IUPAC6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C20H15ClN4O/c1-13-17(21)6-3-7-18(13)25-19-9-8-15(12-23-19)20(26)24-16-5-2-4-14(10-16)11-22/h2-10,12H,1H3,(H,23,25)(H,24,26)
InChIKeyRWUSBASYWGUNPT-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.91
Rot. Bonds4

About 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide

6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide (PubChem CID 109163549) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
PubChem CID109163549
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C20H15ClN4O/c1-13-17(21)6-3-7-18(13)25-19-9-8-15(12-23-19)20(26)24-16-5-2-4-14(10-16)11-22/h2-10,12H,1H3,(H,23,25)(H,24,26)
InChIKeyRWUSBASYWGUNPT-UHFFFAOYSA-N
XLogP4.91
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163537
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
6-[(2-chlorophenyl)methylamino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109156828
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
CID 109270661
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
N-(3-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109165005
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide (CID 109163549) is 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide is Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)cn1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is RWUSBASYWGUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-17(21)6-3-7-18(13)25-19-9-8-15(12-23-19)20(26)24-16-5-2-4-14(10-16)11-22/h2-10,12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide?
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).