N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide

C13H20N2O2 — CID 24747790

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide
SMILESCC(C)C[C@@H](CO)NC(=O)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(2)7-12(9-16)15-13(17)8-11-3-5-14-6-4-11/h3-6,10,12,16H,7-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyZNMDEKCWHIEUFR-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.15
Rot. Bonds6

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide (PubChem CID 24747790) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide
PubChem CID24747790
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide
SMILESCC(C)C[C@@H](CO)NC(=O)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(2)7-12(9-16)15-13(17)8-11-3-5-14-6-4-11/h3-6,10,12,16H,7-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyZNMDEKCWHIEUFR-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide (CID 24747790) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide is CC(C)C[C@@H](CO)NC(=O)Cc1ccncc1.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide?
The InChIKey is ZNMDEKCWHIEUFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)7-12(9-16)15-13(17)8-11-3-5-14-6-4-11/h3-6,10,12,16H,7-9H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-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-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 24747790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).