3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one

C18H24N2O — CID 70277732

IUPAC3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one
SMILESCCCCCCc1[nH]c(=O)c(N)c(C)c1-c1ccccc1
InChIInChI=1S/C18H24N2O/c1-3-4-5-9-12-15-16(14-10-7-6-8-11-14)13(2)17(19)18(21)20-15/h6-8,10-11H,3-5,9,12,19H2,1-2H3,(H,20,21)
InChIKeyFHNRENHEMRBILQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.06
Rot. Bonds6

About 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one

3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one (PubChem CID 70277732) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one
PubChem CID70277732
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one
SMILESCCCCCCc1[nH]c(=O)c(N)c(C)c1-c1ccccc1
InChIInChI=1S/C18H24N2O/c1-3-4-5-9-12-15-16(14-10-7-6-8-11-14)13(2)17(19)18(21)20-15/h6-8,10-11H,3-5,9,12,19H2,1-2H3,(H,20,21)
InChIKeyFHNRENHEMRBILQ-UHFFFAOYSA-N
XLogP4.06
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
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CID 10516343
2-amino-6-oxo-4-(4-pentylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169406597
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
2,5-dioctyl-3-phenyl-1H-pyrrole
CID 174734668
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
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CID 173308514

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one (CID 70277732) is 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one is CCCCCCc1[nH]c(=O)c(N)c(C)c1-c1ccccc1.
What is the InChIKey of 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one?
The InChIKey is FHNRENHEMRBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-5-9-12-15-16(14-10-7-6-8-11-14)13(2)17(19)18(21)20-15/h6-8,10-11H,3-5,9,12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one?
3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 70277732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).