5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 81099375

IUPAC5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESNC1CCC(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O3/c14-10-3-2-9(5-10)12(17)16-7-8-1-4-11(13(18)19)15-6-8/h1,4,6,9-10H,2-3,5,7,14H2,(H,16,17)(H,18,19)
InChIKeyXTTVIFXIDQENDK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.52
Rot. Bonds4

About 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099375) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099375
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESNC1CCC(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O3/c14-10-3-2-9(5-10)12(17)16-7-8-1-4-11(13(18)19)15-6-8/h1,4,6,9-10H,2-3,5,7,14H2,(H,16,17)(H,18,19)
InChIKeyXTTVIFXIDQENDK-UHFFFAOYSA-N
XLogP0.52
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-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

3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119901247
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099375) is 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid is NC1CCC(C(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XTTVIFXIDQENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10-3-2-9(5-10)12(17)16-7-8-1-4-11(13(18)19)15-6-8/h1,4,6,9-10H,2-3,5,7,14H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).