2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid

C16H14N2O5 — CID 19154768

IUPAC2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C16H14N2O5/c1-18(12-8-4-3-6-10(12)16(22)23-2)14(19)13-11(15(20)21)7-5-9-17-13/h3-9H,1-2H3,(H,20,21)
InChIKeyYRNFPALPJHRAJN-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.84
Rot. Bonds4

About 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid

2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 19154768) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID19154768
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C16H14N2O5/c1-18(12-8-4-3-6-10(12)16(22)23-2)14(19)13-11(15(20)21)7-5-9-17-13/h3-9H,1-2H3,(H,20,21)
InChIKeyYRNFPALPJHRAJN-UHFFFAOYSA-N
XLogP1.84
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
methyl 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylate
CID 11152005
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 2-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)-methylamino]benzoate
CID 19245754
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate
CID 60724264
2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid
CID 19700910

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid (CID 19154768) is 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid is COC(=O)c1ccccc1N(C)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YRNFPALPJHRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-18(12-8-4-3-6-10(12)16(22)23-2)14(19)13-11(15(20)21)7-5-9-17-13/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 19154768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).