5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine

C21H40N2O2 — CID 156716500

IUPAC5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine
SMILESCC.CC(=O)c1ccc(=O)[nH]c1.CCCN(CCC(C)CC)C(C)C
InChIInChI=1S/C12H27N.C7H7NO2.C2H6/c1-6-9-13(11(3)4)10-8-12(5)7-2;1-5(9)6-2-3-7(10)8-4-6;1-2/h11-12H,6-10H2,1-5H3;2-4H,1H3,(H,8,10);1-2H3
InChIKeyYCEOZWNDWDBXFU-UHFFFAOYSA-N
MW352.56 g/mol
LogP5.15
Rot. Bonds8

About 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine

5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine (PubChem CID 156716500) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine
PubChem CID156716500
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine
SMILESCC.CC(=O)c1ccc(=O)[nH]c1.CCCN(CCC(C)CC)C(C)C
InChIInChI=1S/C12H27N.C7H7NO2.C2H6/c1-6-9-13(11(3)4)10-8-12(5)7-2;1-5(9)6-2-3-7(10)8-4-6;1-2/h11-12H,6-10H2,1-5H3;2-4H,1H3,(H,8,10);1-2H3
InChIKeyYCEOZWNDWDBXFU-UHFFFAOYSA-N
XLogP5.15
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 79471117
N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43243457
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
N-(3-amino-2,2-dimethylpropyl)-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79667847
1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
CID 70906617
1-[4-(7-methylnonan-4-yl)phenyl]ethanone
CID 143452175
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54898737
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 60792621
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114145848
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629409

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine?
The IUPAC name of 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine (CID 156716500) is 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine.
What is the SMILES notation for 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine?
The canonical SMILES for 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine is CC.CC(=O)c1ccc(=O)[nH]c1.CCCN(CCC(C)CC)C(C)C.
What is the InChIKey of 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine?
The InChIKey is YCEOZWNDWDBXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C7H7NO2.C2H6/c1-6-9-13(11(3)4)10-8-12(5)7-2;1-5(9)6-2-3-7(10)8-4-6;1-2/h11-12H,6-10H2,1-5H3;2-4H,1H3,(H,8,10);1-2H3.
What are the key properties of 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine?
5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine has a molecular weight of 352.56 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine is sourced from PubChem (CID 156716500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).