methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate

C15H14N2O3 — CID 110861657

IUPACmethyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)ccn2)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-16-13(8-10)14(18)17-12-5-3-4-11(9-12)15(19)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyZCFPXNLORRDOFD-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds3

About methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate

methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate (PubChem CID 110861657) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
PubChem CID110861657
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(C)ccn2)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-7-16-13(8-10)14(18)17-12-5-3-4-11(9-12)15(19)20-2/h3-9H,1-2H3,(H,17,18)
InChIKeyZCFPXNLORRDOFD-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

methyl 3-[[4-(3,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219979
methyl 3-[[4-(2,4-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219781
methyl 3-[[4-[(3-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210371
methyl 3-[[4-(3-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220998
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate (CID 110861657) is methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(C)ccn2)c1.
What is the InChIKey of methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate?
The InChIKey is ZCFPXNLORRDOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-7-16-13(8-10)14(18)17-12-5-3-4-11(9-12)15(19)20-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate?
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate 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 3-[(4-methylpyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110861657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).