6-(1-carboxypentylamino)pyridine-2-carboxylic acid

C12H16N2O4 — CID 122060298

IUPAC6-(1-carboxypentylamino)pyridine-2-carboxylic acid
SMILESCCCCC(Nc1cccc(C(=O)O)n1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-3-5-8(11(15)16)13-10-7-4-6-9(14-10)12(17)18/h4,6-8H,2-3,5H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyQSVMNOQMUJPORS-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.84
Rot. Bonds7

About 6-(1-carboxypentylamino)pyridine-2-carboxylic acid

6-(1-carboxypentylamino)pyridine-2-carboxylic acid (PubChem CID 122060298) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-(1-carboxypentylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-carboxypentylamino)pyridine-2-carboxylic acid
PubChem CID122060298
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-(1-carboxypentylamino)pyridine-2-carboxylic acid
SMILESCCCCC(Nc1cccc(C(=O)O)n1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-3-5-8(11(15)16)13-10-7-4-6-9(14-10)12(17)18/h4,6-8H,2-3,5H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyQSVMNOQMUJPORS-UHFFFAOYSA-N
XLogP1.84
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(1-carboxypentylamino)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

2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 81077809
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
6-(1-aminopentyl)pyridine-2-carboxylic acid
CID 171922233

Frequently Asked Questions

What is the IUPAC name of 6-(1-carboxypentylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1-carboxypentylamino)pyridine-2-carboxylic acid (CID 122060298) is 6-(1-carboxypentylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-carboxypentylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-carboxypentylamino)pyridine-2-carboxylic acid is CCCCC(Nc1cccc(C(=O)O)n1)C(=O)O.
What is the InChIKey of 6-(1-carboxypentylamino)pyridine-2-carboxylic acid?
The InChIKey is QSVMNOQMUJPORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-3-5-8(11(15)16)13-10-7-4-6-9(14-10)12(17)18/h4,6-8H,2-3,5H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 6-(1-carboxypentylamino)pyridine-2-carboxylic acid?
6-(1-carboxypentylamino)pyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-carboxypentylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 122060298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).