N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide

C14H13ClN2O — CID 103730447

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H13ClN2O/c1-9-4-3-5-11(6-9)14(18)17-12-7-10(2)13(15)16-8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyXIHAOHRNPDEFHJ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.60
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide

N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide (PubChem CID 103730447) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
PubChem CID103730447
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H13ClN2O/c1-9-4-3-5-11(6-9)14(18)17-12-7-10(2)13(15)16-8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyXIHAOHRNPDEFHJ-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

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104954751
N-(5-bromo-3-pyridinyl)-3-methylbenzamide
CID 110869014
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide (CID 103730447) is N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cnc(Cl)c(C)c2)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
The InChIKey is XIHAOHRNPDEFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-4-3-5-11(6-9)14(18)17-12-7-10(2)13(15)16-8-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide?
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide 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-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide is sourced from PubChem (CID 103730447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).