3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid

C13H18N2O3 — CID 115363234

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NCC1(CO)CCCC1
InChIInChI=1S/C13H18N2O3/c16-9-13(5-1-2-6-13)8-15-10-4-3-7-14-11(10)12(17)18/h3-4,7,15-16H,1-2,5-6,8-9H2,(H,17,18)
InChIKeyXAXBPENIIRGFRF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid

3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 115363234) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
PubChem CID115363234
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NCC1(CO)CCCC1
InChIInChI=1S/C13H18N2O3/c16-9-13(5-1-2-6-13)8-15-10-4-3-7-14-11(10)12(17)18/h3-4,7,15-16H,1-2,5-6,8-9H2,(H,17,18)
InChIKeyXAXBPENIIRGFRF-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-2-carboxylic acid
CID 114117682
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455530
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 115360754
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
CID 103968372
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
[1-[[(3-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113371010
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
2,3-difluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103967280
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid (CID 115363234) is 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1ncccc1NCC1(CO)CCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is XAXBPENIIRGFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-9-13(5-1-2-6-13)8-15-10-4-3-7-14-11(10)12(17)18/h3-4,7,15-16H,1-2,5-6,8-9H2,(H,17,18).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115363234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).