N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide

C16H26N2O3 — CID 109381038

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C16H26N2O3/c1-12(2)15(21)16(3,4)11-17-13(19)8-10-18-9-6-5-7-14(18)20/h5-7,9,12,15,21H,8,10-11H2,1-4H3,(H,17,19)
InChIKeyLSFFDZGNXIEDQW-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.40
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 109381038) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID109381038
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C16H26N2O3/c1-12(2)15(21)16(3,4)11-17-13(19)8-10-18-9-6-5-7-14(18)20/h5-7,9,12,15,21H,8,10-11H2,1-4H3,(H,17,19)
InChIKeyLSFFDZGNXIEDQW-UHFFFAOYSA-N
XLogP1.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 109381290
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103941143
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 65266103
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 111426294
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 110908908
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 109381038) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide is CC(C)C(O)C(C)(C)CNC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is LSFFDZGNXIEDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)15(21)16(3,4)11-17-13(19)8-10-18-9-6-5-7-14(18)20/h5-7,9,12,15,21H,8,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 109381038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).