2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide

C13H21N3O2 — CID 83131702

IUPAC2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc([C@@H](C)O)nc1
InChIInChI=1S/C13H21N3O2/c1-4-7-14-13(18)9-16(3)11-5-6-12(10(2)17)15-8-11/h5-6,8,10,17H,4,7,9H2,1-3H3,(H,14,18)/t10-/m1/s1
InChIKeyOLGUGOPYZZPCRT-SNVBAGLBSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds6

About 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide

2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide (PubChem CID 83131702) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
PubChem CID83131702
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc([C@@H](C)O)nc1
InChIInChI=1S/C13H21N3O2/c1-4-7-14-13(18)9-16(3)11-5-6-12(10(2)17)15-8-11/h5-6,8,10,17H,4,7,9H2,1-3H3,(H,14,18)/t10-/m1/s1
InChIKeyOLGUGOPYZZPCRT-SNVBAGLBSA-N
XLogP1.10
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide 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-ethyl-2-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]acetamide
CID 83132737
N-ethyl-2-[ethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetamide
CID 83132139
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 83131620
2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 63371318
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide (CID 83131702) is 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccc([C@@H](C)O)nc1.
What is the InChIKey of 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide?
The InChIKey is OLGUGOPYZZPCRT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-7-14-13(18)9-16(3)11-5-6-12(10(2)17)15-8-11/h5-6,8,10,17H,4,7,9H2,1-3H3,(H,14,18)/t10-/m1/s1.
What are the key properties of 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide?
2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 83131702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).