1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one

C16H20N2O — CID 79007599

IUPAC1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one
SMILESCCC(Cc1ccccc1)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C16H20N2O/c1-3-14(11-13-7-5-4-6-8-13)17-15-9-10-16(19)18(2)12-15/h4-10,12,14,17H,3,11H2,1-2H3
InChIKeyFHCJIQOXKLSRHQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.82
Rot. Bonds5

About 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one

1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one (PubChem CID 79007599) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one
PubChem CID79007599
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one
SMILESCCC(Cc1ccccc1)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C16H20N2O/c1-3-14(11-13-7-5-4-6-8-13)17-15-9-10-16(19)18(2)12-15/h4-10,12,14,17H,3,11H2,1-2H3
InChIKeyFHCJIQOXKLSRHQ-UHFFFAOYSA-N
XLogP2.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(2-methylpentan-3-ylamino)pyridin-2-one
CID 60932040
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
1-methyl-5-(2-methylbutylamino)pyridin-2-one
CID 60931970
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313866
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
CID 79007290
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one (CID 79007599) is 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one is CCC(Cc1ccccc1)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one?
The InChIKey is FHCJIQOXKLSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-14(11-13-7-5-4-6-8-13)17-15-9-10-16(19)18(2)12-15/h4-10,12,14,17H,3,11H2,1-2H3.
What are the key properties of 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one?
1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-phenylbutan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 79007599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).