2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide

C13H19N3O2 — CID 104844483

IUPAC2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CCCC2CO)ccn1
InChIInChI=1S/C13H19N3O2/c14-7-11-6-9(4-5-15-11)13(18)16-12-3-1-2-10(12)8-17/h4-6,10,12,17H,1-3,7-8,14H2,(H,16,18)
InChIKeyAHFQCKSOYDOQKL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.43
Rot. Bonds4

About 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 104844483) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID104844483
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CCCC2CO)ccn1
InChIInChI=1S/C13H19N3O2/c14-7-11-6-9(4-5-15-11)13(18)16-12-3-1-2-10(12)8-17/h4-6,10,12,17H,1-3,7-8,14H2,(H,16,18)
InChIKeyAHFQCKSOYDOQKL-UHFFFAOYSA-N
XLogP0.43
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide (CID 104844483) is 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide is NCc1cc(C(=O)NC2CCCC2CO)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is AHFQCKSOYDOQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-7-11-6-9(4-5-15-11)13(18)16-12-3-1-2-10(12)8-17/h4-6,10,12,17H,1-3,7-8,14H2,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 104844483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).