2-(methylcarbamoyl)pyridine-4-carboxylic acid

C8H8N2O3 — CID 71685922

IUPAC2-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C8H8N2O3/c1-9-7(11)6-4-5(8(12)13)2-3-10-6/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKeyPVIZBGMQZAJNIH-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.14
Rot. Bonds2

About 2-(methylcarbamoyl)pyridine-4-carboxylic acid

2-(methylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 71685922) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(methylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(methylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID71685922
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C8H8N2O3/c1-9-7(11)6-4-5(8(12)13)2-3-10-6/h2-4H,1H3,(H,9,11)(H,12,13)
InChIKeyPVIZBGMQZAJNIH-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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Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(methylcarbamoyl)pyridine-4-carboxylic acid (CID 71685922) is 2-(methylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(methylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(methylcarbamoyl)pyridine-4-carboxylic acid is CNC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(methylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is PVIZBGMQZAJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-9-7(11)6-4-5(8(12)13)2-3-10-6/h2-4H,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-(methylcarbamoyl)pyridine-4-carboxylic acid?
2-(methylcarbamoyl)pyridine-4-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 2-(methylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 71685922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).