N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide

C14H20N2O2 — CID 115116140

IUPACN-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
SMILESO=C(NCCC1CCCC1)c1ccnc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-13-9-12(6-8-15-13)14(18)16-7-5-11-3-1-2-4-11/h6,8-9,11,17H,1-5,7,10H2,(H,16,18)
InChIKeyGXYYJVXDQLKYHU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds5

About N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide

N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide (PubChem CID 115116140) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
PubChem CID115116140
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
SMILESO=C(NCCC1CCCC1)c1ccnc(CO)c1
InChIInChI=1S/C14H20N2O2/c17-10-13-9-12(6-8-15-13)14(18)16-7-5-11-3-1-2-4-11/h6,8-9,11,17H,1-5,7,10H2,(H,16,18)
InChIKeyGXYYJVXDQLKYHU-UHFFFAOYSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
CID 115116320
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
4-(aminomethyl)-N-(2-cyclohexylethyl)pyridine-2-carboxamide
CID 115117078
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide (CID 115116140) is N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide is O=C(NCCC1CCCC1)c1ccnc(CO)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide?
The InChIKey is GXYYJVXDQLKYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-13-9-12(6-8-15-13)14(18)16-7-5-11-3-1-2-4-11/h6,8-9,11,17H,1-5,7,10H2,(H,16,18).
What are the key properties of N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide?
N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).