methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate

C15H14N2O3 — CID 54003775

IUPACmethyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2C)nc1
InChIInChI=1S/C15H14N2O3/c1-10-5-3-4-6-12(10)14(18)17-13-8-7-11(9-16-13)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyKNKSQWYAIJVLQJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate

methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate (PubChem CID 54003775) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
PubChem CID54003775
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2C)nc1
InChIInChI=1S/C15H14N2O3/c1-10-5-3-4-6-12(10)14(18)17-13-8-7-11(9-16-13)15(19)20-2/h3-9H,1-2H3,(H,16,17,18)
InChIKeyKNKSQWYAIJVLQJ-UHFFFAOYSA-N
XLogP2.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
CID 24775351
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride
CID 22099782
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
CID 170250393
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate (CID 54003775) is methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1.
What is the InChIKey of methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate?
The InChIKey is KNKSQWYAIJVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-3-4-6-12(10)14(18)17-13-8-7-11(9-16-13)15(19)20-2/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate?
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 54003775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).