N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide

C12H18N2O2 — CID 81043461

IUPACN-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
SMILESCC(CCO)NC(=O)CCc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-10(7-9-15)14-12(16)6-5-11-4-2-3-8-13-11/h2-4,8,10,15H,5-7,9H2,1H3,(H,14,16)
InChIKeyKSQZAIYBCSKOEY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide

N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide (PubChem CID 81043461) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
PubChem CID81043461
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
SMILESCC(CCO)NC(=O)CCc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-10(7-9-15)14-12(16)6-5-11-4-2-3-8-13-11/h2-4,8,10,15H,5-7,9H2,1H3,(H,14,16)
InChIKeyKSQZAIYBCSKOEY-UHFFFAOYSA-N
XLogP0.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 97306373
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide (CID 81043461) is N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide is CC(CCO)NC(=O)CCc1ccccn1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide?
The InChIKey is KSQZAIYBCSKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(7-9-15)14-12(16)6-5-11-4-2-3-8-13-11/h2-4,8,10,15H,5-7,9H2,1H3,(H,14,16).
What are the key properties of N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide?
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 81043461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).