4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C15H14N2O4 — CID 115730110

IUPAC4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNC(=O)c2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O4/c1-21-12-4-2-3-10(7-12)9-17-14(18)11-5-6-16-13(8-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyBVEYMTMMEPONJV-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds5

About 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730110) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID115730110
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNC(=O)c2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O4/c1-21-12-4-2-3-10(7-12)9-17-14(18)11-5-6-16-13(8-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyBVEYMTMMEPONJV-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

2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 115730110) is 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is COc1cccc(CNC(=O)c2ccnc(C(=O)O)c2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BVEYMTMMEPONJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-4-2-3-10(7-12)9-17-14(18)11-5-6-16-13(8-11)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
4-[(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 4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).