N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide

C12H18N2O2 — CID 115767168

IUPACN-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
SMILESCCC(CCO)NC(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-2-11(5-7-15)14-12(16)8-10-4-3-6-13-9-10/h3-4,6,9,11,15H,2,5,7-8H2,1H3,(H,14,16)
InChIKeyXDFBESIFGPCOGD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide

N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide (PubChem CID 115767168) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
PubChem CID115767168
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
SMILESCCC(CCO)NC(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-2-11(5-7-15)14-12(16)8-10-4-3-6-13-9-10/h3-4,6,9,11,15H,2,5,7-8H2,1H3,(H,14,16)
InChIKeyXDFBESIFGPCOGD-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-3-ylacetamide
CID 115283484
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
CID 99832158
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
(2S)-N-[1-(2,3-dihydroxyphenyl)pentan-3-yl]-3-methyl-2-[(2-pyridin-3-ylacetyl)amino]pentanamide
CID 57160966
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-hexan-3-yl-2-phenylacetamide
CID 129166933
2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767310
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide (CID 115767168) is N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide is CCC(CCO)NC(=O)Cc1cccnc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide?
The InChIKey is XDFBESIFGPCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-11(5-7-15)14-12(16)8-10-4-3-6-13-9-10/h3-4,6,9,11,15H,2,5,7-8H2,1H3,(H,14,16).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide?
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide 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-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 115767168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).