methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate

C15H13ClN2O3 — CID 60722400

IUPACmethyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccnc2Cl)c(C)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-8-10(15(20)21-2)5-6-12(9)18-14(19)11-4-3-7-17-13(11)16/h3-8H,1-2H3,(H,18,19)
InChIKeyTXCKJIFNOGADKS-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.08
Rot. Bonds3

About methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate

methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate (PubChem CID 60722400) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
PubChem CID60722400
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Namemethyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccnc2Cl)c(C)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-8-10(15(20)21-2)5-6-12(9)18-14(19)11-4-3-7-17-13(11)16/h3-8H,1-2H3,(H,18,19)
InChIKeyTXCKJIFNOGADKS-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 4-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-3-methylbenzoate
CID 55538146
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate (CID 60722400) is methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2cccnc2Cl)c(C)c1.
What is the InChIKey of methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate?
The InChIKey is TXCKJIFNOGADKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-8-10(15(20)21-2)5-6-12(9)18-14(19)11-4-3-7-17-13(11)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate?
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate has a molecular weight of 304.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate is sourced from PubChem (CID 60722400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).