N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide

C13H20N2O2 — CID 111447112

IUPACN-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
SMILESCC(O)CC(C)CNC(=O)Cc1cccnc1
InChIInChI=1S/C13H20N2O2/c1-10(6-11(2)16)8-15-13(17)7-12-4-3-5-14-9-12/h3-5,9-11,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyUASPQHGTODKJFQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.15
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide

N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide (PubChem CID 111447112) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
PubChem CID111447112
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
SMILESCC(O)CC(C)CNC(=O)Cc1cccnc1
InChIInChI=1S/C13H20N2O2/c1-10(6-11(2)16)8-15-13(17)7-12-4-3-5-14-9-12/h3-5,9-11,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyUASPQHGTODKJFQ-UHFFFAOYSA-N
XLogP1.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 111448039
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide (CID 111447112) is N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide is CC(O)CC(C)CNC(=O)Cc1cccnc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide?
The InChIKey is UASPQHGTODKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(6-11(2)16)8-15-13(17)7-12-4-3-5-14-9-12/h3-5,9-11,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide?
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 111447112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).