5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid

C10H12N4O4 — CID 63154469

IUPAC5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
SMILESCC(NC(N)=O)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H12N4O4/c1-5(13-10(11)18)8(15)14-7-2-6(9(16)17)3-12-4-7/h2-5H,1H3,(H,14,15)(H,16,17)(H3,11,13,18)
InChIKeyILUTVGJINCTNQT-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.22
Rot. Bonds4

About 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid

5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid (PubChem CID 63154469) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
PubChem CID63154469
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
SMILESCC(NC(N)=O)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H12N4O4/c1-5(13-10(11)18)8(15)14-7-2-6(9(16)17)3-12-4-7/h2-5H,1H3,(H,14,15)(H,16,17)(H3,11,13,18)
InChIKeyILUTVGJINCTNQT-UHFFFAOYSA-N
XLogP-0.22
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
CID 82535240
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
CID 55164466
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 113457986
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 103869217
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200

Frequently Asked Questions

What is the IUPAC name of 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid (CID 63154469) is 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid is CC(NC(N)=O)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid?
The InChIKey is ILUTVGJINCTNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-5(13-10(11)18)8(15)14-7-2-6(9(16)17)3-12-4-7/h2-5H,1H3,(H,14,15)(H,16,17)(H3,11,13,18).
What are the key properties of 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid?
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).