6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide

C14H10ClN3O — CID 47475855

IUPAC6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H10ClN3O/c1-9-2-3-10(7-16)6-12(9)18-14(19)11-4-5-13(15)17-8-11/h2-6,8H,1H3,(H,18,19)
InChIKeyRJJSVNZEQUPXQB-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.17
Rot. Bonds2

About 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide

6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 47475855) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
PubChem CID47475855
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H10ClN3O/c1-9-2-3-10(7-16)6-12(9)18-14(19)11-4-5-13(15)17-8-11/h2-6,8H,1H3,(H,18,19)
InChIKeyRJJSVNZEQUPXQB-UHFFFAOYSA-N
XLogP3.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide
CID 1471759
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide (CID 47475855) is 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is RJJSVNZEQUPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-2-3-10(7-16)6-12(9)18-14(19)11-4-5-13(15)17-8-11/h2-6,8H,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 47475855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).