2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide

C14H13ClN2O2 — CID 61042493

IUPAC2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-9-5-6-11(12(8-9)19-2)17-14(18)10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18)
InChIKeyAHIBJNSJTXKYNO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide

2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 61042493) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
PubChem CID61042493
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-9-5-6-11(12(8-9)19-2)17-14(18)10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18)
InChIKeyAHIBJNSJTXKYNO-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.30
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

3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide (CID 61042493) is 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide is COc1cc(C)ccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is AHIBJNSJTXKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-5-6-11(12(8-9)19-2)17-14(18)10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide?
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 61042493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).