N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide

C14H10ClN3O — CID 103799813

IUPACN-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cn1
InChIInChI=1S/C14H10ClN3O/c1-9-2-4-11(8-17-9)14(19)18-13-5-3-10(7-16)6-12(13)15/h2-6,8H,1H3,(H,18,19)
InChIKeyOSLUEWWFIXMEQL-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.17
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide

N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 103799813) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
PubChem CID103799813
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cn1
InChIInChI=1S/C14H10ClN3O/c1-9-2-4-11(8-17-9)14(19)18-13-5-3-10(7-16)6-12(13)15/h2-6,8H,1H3,(H,18,19)
InChIKeyOSLUEWWFIXMEQL-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

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Related Compounds

6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
N-(2-chloro-4-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 43134081
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide (CID 103799813) is N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(C#N)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is OSLUEWWFIXMEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-2-4-11(8-17-9)14(19)18-13-5-3-10(7-16)6-12(13)15/h2-6,8H,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide?
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-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 N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 103799813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).