6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one

C16H28N2O — CID 127048645

IUPAC6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one
SMILESCc1cc(NCCC(C)C)cc(=O)n1CCC(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)6-8-17-15-10-14(5)18(16(19)11-15)9-7-13(3)4/h10-13,17H,6-9H2,1-5H3
InChIKeyCRGJBALPHNUUGR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.66
Rot. Bonds7

About 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one

6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one (PubChem CID 127048645) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one
PubChem CID127048645
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one
SMILESCc1cc(NCCC(C)C)cc(=O)n1CCC(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)6-8-17-15-10-14(5)18(16(19)11-15)9-7-13(3)4/h10-13,17H,6-9H2,1-5H3
InChIKeyCRGJBALPHNUUGR-UHFFFAOYSA-N
XLogP3.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one?
The IUPAC name of 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one (CID 127048645) is 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one is Cc1cc(NCCC(C)C)cc(=O)n1CCC(C)C.
What is the InChIKey of 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one?
The InChIKey is CRGJBALPHNUUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)6-8-17-15-10-14(5)18(16(19)11-15)9-7-13(3)4/h10-13,17H,6-9H2,1-5H3.
What are the key properties of 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one?
6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one has a molecular weight of 264.41 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one is sourced from PubChem (CID 127048645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).