5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid

C12H14N4O4 — CID 106258258

IUPAC5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCN1CCC(NC(=O)Nc2cncc(C(=O)O)c2)C1=O
InChIInChI=1S/C12H14N4O4/c1-16-3-2-9(10(16)17)15-12(20)14-8-4-7(11(18)19)5-13-6-8/h4-6,9H,2-3H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyHDSVBGTXNNGLID-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.13
Rot. Bonds3

About 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid

5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 106258258) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID106258258
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCN1CCC(NC(=O)Nc2cncc(C(=O)O)c2)C1=O
InChIInChI=1S/C12H14N4O4/c1-16-3-2-9(10(16)17)15-12(20)14-8-4-7(11(18)19)5-13-6-8/h4-6,9H,2-3H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyHDSVBGTXNNGLID-UHFFFAOYSA-N
XLogP0.13
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]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

4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 64667847
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 75390408
2-fluoro-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258332
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71874830
1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
CID 97215300
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258228
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446
2-methyl-6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258105
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106257103

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid (CID 106258258) is 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid is CN1CCC(NC(=O)Nc2cncc(C(=O)O)c2)C1=O.
What is the InChIKey of 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is HDSVBGTXNNGLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-16-3-2-9(10(16)17)15-12(20)14-8-4-7(11(18)19)5-13-6-8/h4-6,9H,2-3H2,1H3,(H,18,19)(H2,14,15,20).
What are the key properties of 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106258258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).