N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide

C14H13ClN2O — CID 31824741

IUPACN-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H13ClN2O/c1-9-6-7-11(15)8-13(9)17-14(18)12-5-3-4-10(2)16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyVHLCZFAPYGPYEC-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.60
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide

N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide (PubChem CID 31824741) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
PubChem CID31824741
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H13ClN2O/c1-9-6-7-11(15)8-13(9)17-14(18)12-5-3-4-10(2)16-12/h3-8H,1-2H3,(H,17,18)
InChIKeyVHLCZFAPYGPYEC-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide (CID 31824741) is N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is VHLCZFAPYGPYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-6-7-11(15)8-13(9)17-14(18)12-5-3-4-10(2)16-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 31824741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).