2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide

C19H29N3O3 — CID 110124246

IUPAC2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCN(c2ccccn2)C1)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C19H29N3O3/c1-21(17(23)13-18(24)8-4-2-5-9-18)14-19(25)10-12-22(15-19)16-7-3-6-11-20-16/h3,6-7,11,24-25H,2,4-5,8-10,12-15H2,1H3
InChIKeyUURRBHPKYHHDDU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.57
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide

2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 110124246) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID110124246
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCN(c2ccccn2)C1)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C19H29N3O3/c1-21(17(23)13-18(24)8-4-2-5-9-18)14-19(25)10-12-22(15-19)16-7-3-6-11-20-16/h3,6-7,11,24-25H,2,4-5,8-10,12-15H2,1H3
InChIKeyUURRBHPKYHHDDU-UHFFFAOYSA-N
XLogP1.57
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide 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

N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylcyclopropanecarboxamide
CID 110124176
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110124186
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110124042
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 110124103
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 125015256
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 125025521
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 125016063
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-5-propyl-1,2-oxazole-3-carboxamide
CID 124985167
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965660

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide (CID 110124246) is 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide is CN(CC1(O)CCN(c2ccccn2)C1)C(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is UURRBHPKYHHDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(17(23)13-18(24)8-4-2-5-9-18)14-19(25)10-12-22(15-19)16-7-3-6-11-20-16/h3,6-7,11,24-25H,2,4-5,8-10,12-15H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide?
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 110124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).