2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid

C9H7N3O3 — CID 57302140

IUPAC2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
SMILESN#CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C9H7N3O3/c10-3-5-12-8(13)7-6(9(14)15)2-1-4-11-7/h1-2,4H,5H2,(H,12,13)(H,14,15)
InChIKeyAYZLHPZRQLDBKB-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.03
Rot. Bonds3

About 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid

2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 57302140) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID57302140
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
SMILESN#CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C9H7N3O3/c10-3-5-12-8(13)7-6(9(14)15)2-1-4-11-7/h1-2,4H,5H2,(H,12,13)(H,14,15)
InChIKeyAYZLHPZRQLDBKB-UHFFFAOYSA-N
XLogP0.03
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-[[4-(cyanomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616249
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-[cyanomethyl(prop-2-ynyl)carbamoyl]pyridine-3-carboxylic acid
CID 114208695
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid (CID 57302140) is 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid is N#CCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is AYZLHPZRQLDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-3-5-12-8(13)7-6(9(14)15)2-1-4-11-7/h1-2,4H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid?
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 57302140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).