2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid

C13H18N2O3 — CID 106137549

IUPAC2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H18N2O3/c1-8-2-5-11(13(17)18)12(15-8)14-7-9-3-4-10(16)6-9/h2,5,9-10,16H,3-4,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyLIFYCTVTMZRAAJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.66
Rot. Bonds4

About 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid

2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 106137549) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID106137549
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC2CCC(O)C2)n1
InChIInChI=1S/C13H18N2O3/c1-8-2-5-11(13(17)18)12(15-8)14-7-9-3-4-10(16)6-9/h2,5,9-10,16H,3-4,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyLIFYCTVTMZRAAJ-UHFFFAOYSA-N
XLogP1.66
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-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-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 63685394
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
CID 55223076
2-[(3-hydroxycyclopentyl)methylamino]-3-methylbenzoic acid
CID 106137569
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 103878080
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzoic acid
CID 106137573
2-[(3-hydroxycyclohexyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106137616
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
CID 106127799
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
CID 103269706

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid (CID 106137549) is 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCC2CCC(O)C2)n1.
What is the InChIKey of 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is LIFYCTVTMZRAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-2-5-11(13(17)18)12(15-8)14-7-9-3-4-10(16)6-9/h2,5,9-10,16H,3-4,6-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid?
2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 106137549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).