4-(methylcarbamoyl)pyridine-3-carboxylic acid

C8H8N2O3 — CID 130493888

IUPAC4-(methylcarbamoyl)pyridine-3-carboxylic acid
SMILESCNC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C8H8N2O3/c1-9-7(11)5-2-3-10-4-6(5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKeyUCNTWIUPKKYJTD-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.14
Rot. Bonds2

About 4-(methylcarbamoyl)pyridine-3-carboxylic acid

4-(methylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 130493888) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-(methylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(methylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID130493888
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-(methylcarbamoyl)pyridine-3-carboxylic acid
SMILESCNC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C8H8N2O3/c1-9-7(11)5-2-3-10-4-6(5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKeyUCNTWIUPKKYJTD-UHFFFAOYSA-N
XLogP0.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
3-acetylpyridine-4-carboxylic acid
CID 19902844
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270765
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
4-[(3-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244313

Frequently Asked Questions

What is the IUPAC name of 4-(methylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(methylcarbamoyl)pyridine-3-carboxylic acid (CID 130493888) is 4-(methylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(methylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(methylcarbamoyl)pyridine-3-carboxylic acid is CNC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-(methylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is UCNTWIUPKKYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-9-7(11)5-2-3-10-4-6(5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13).
What are the key properties of 4-(methylcarbamoyl)pyridine-3-carboxylic acid?
4-(methylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 130493888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).