6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C15H14N2O4 — CID 61028665

IUPAC6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C15H14N2O4/c1-21-11-5-2-4-10(8-11)9-16-14(18)12-6-3-7-13(17-12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyVUOKOIOFVDUMHJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds5

About 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 61028665) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID61028665
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C15H14N2O4/c1-21-11-5-2-4-10(8-11)9-16-14(18)12-6-3-7-13(17-12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyVUOKOIOFVDUMHJ-UHFFFAOYSA-N
XLogP1.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
CID 122053549
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 61028665) is 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is COc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VUOKOIOFVDUMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-11-5-2-4-10(8-11)9-16-14(18)12-6-3-7-13(17-12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61028665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).