3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C16H14N2O5 — CID 1231065

IUPAC3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(NC(=O)c2cccnc2C(=O)O)c1C
InChIInChI=1S/C16H14N2O5/c1-9-10(16(22)23-2)5-3-7-12(9)18-14(19)11-6-4-8-17-13(11)15(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUSNCFHMCPPFNGU-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.13
Rot. Bonds4

About 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 1231065) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID1231065
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(NC(=O)c2cccnc2C(=O)O)c1C
InChIInChI=1S/C16H14N2O5/c1-9-10(16(22)23-2)5-3-7-12(9)18-14(19)11-6-4-8-17-13(11)15(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyUSNCFHMCPPFNGU-UHFFFAOYSA-N
XLogP2.13
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Benzoic acid, 3-((3-pyridinylcarbonyl)amino)-, methyl ester, N-oxide
CID 47522
Ethyl 2-morpholin-4-yl-5-(3-pyridylcarbonylamino)benzoate
CID 3162289
2-Methyl-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid
CID 6492090
3-[(3-Acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 3237673
5-[Methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
CID 44631846
[2-(3-Acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088687
Methyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate
CID 3163529
3-{[(4-Fluorobenzyl)amino]carbonyl}pyridine-2-carboxylic acid
CID 20866734
3-{[(4-Ethoxyphenyl)amino]carbonyl}pyridine-2-carboxylic acid
CID 3240810
3-[(4-Ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 5307879
Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
CID 743331

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 1231065) is 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is COC(=O)c1cccc(NC(=O)c2cccnc2C(=O)O)c1C.
What is the InChIKey of 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is USNCFHMCPPFNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-9-10(16(22)23-2)5-3-7-12(9)18-14(19)11-6-4-8-17-13(11)15(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 1231065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).