N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide

C15H23N3O2 — CID 111540624

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCC1CCCC1O
InChIInChI=1S/C15H23N3O2/c1-10(2)18-14-12(6-4-8-16-14)15(20)17-9-11-5-3-7-13(11)19/h4,6,8,10-11,13,19H,3,5,7,9H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyGYYJKQUXAPYVJW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.79
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 111540624) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID111540624
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NCC1CCCC1O
InChIInChI=1S/C15H23N3O2/c1-10(2)18-14-12(6-4-8-16-14)15(20)17-9-11-5-3-7-13(11)19/h4,6,8,10-11,13,19H,3,5,7,9H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyGYYJKQUXAPYVJW-UHFFFAOYSA-N
XLogP1.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
N-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 128967348
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-(2-amino-2-phenylethyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 119527886
N-(2-methylpiperidin-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide;dihydrochloride
CID 120576232
N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111471329
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 111540624) is N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)NCC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is GYYJKQUXAPYVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)18-14-12(6-4-8-16-14)15(20)17-9-11-5-3-7-13(11)19/h4,6,8,10-11,13,19H,3,5,7,9H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 111540624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).