6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide

C14H10ClN3O — CID 62981263

IUPAC6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Cl)n1)c1ccc(C#N)cc1
InChIInChI=1S/C14H10ClN3O/c1-18(11-7-5-10(9-16)6-8-11)14(19)12-3-2-4-13(15)17-12/h2-8H,1H3
InChIKeyOTIZYJWFQCCJDY-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.88
Rot. Bonds2

About 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide

6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 62981263) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
PubChem CID62981263
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Cl)n1)c1ccc(C#N)cc1
InChIInChI=1S/C14H10ClN3O/c1-18(11-7-5-10(9-16)6-8-11)14(19)12-3-2-4-13(15)17-12/h2-8H,1H3
InChIKeyOTIZYJWFQCCJDY-UHFFFAOYSA-N
XLogP2.88
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62982925
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157437

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide (CID 62981263) is 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1cccc(Cl)n1)c1ccc(C#N)cc1.
What is the InChIKey of 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is OTIZYJWFQCCJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-18(11-7-5-10(9-16)6-8-11)14(19)12-3-2-4-13(15)17-12/h2-8H,1H3.
What are the key properties of 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide?
6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62981263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).