1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one

C17H19N3O2 — CID 177247292

IUPAC1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESC=C/C=C\C=C(/N)Cn1cc(-c2c(C)noc2C)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-4-5-6-7-15(18)11-20-10-14(8-9-16(20)21)17-12(2)19-22-13(17)3/h4-10H,1,11,18H2,2-3H3/b6-5-,15-7-
InChIKeyHYPZPIIYJSMLMW-NDEWXPFSSA-N
MW297.36 g/mol
LogP2.70
Rot. Bonds5

About 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one

1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (PubChem CID 177247292) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
PubChem CID177247292
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESC=C/C=C\C=C(/N)Cn1cc(-c2c(C)noc2C)ccc1=O
InChIInChI=1S/C17H19N3O2/c1-4-5-6-7-15(18)11-20-10-14(8-9-16(20)21)17-12(2)19-22-13(17)3/h4-10H,1,11,18H2,2-3H3/b6-5-,15-7-
InChIKeyHYPZPIIYJSMLMW-NDEWXPFSSA-N
XLogP2.70
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
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3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one
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3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 90234030
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436
1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234026
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (CID 177247292) is 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is C=C/C=C\C=C(/N)Cn1cc(-c2c(C)noc2C)ccc1=O.
What is the InChIKey of 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The InChIKey is HYPZPIIYJSMLMW-NDEWXPFSSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-5-6-7-15(18)11-20-10-14(8-9-16(20)21)17-12(2)19-22-13(17)3/h4-10H,1,11,18H2,2-3H3/b6-5-,15-7-.
What are the key properties of 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-2-aminohepta-2,4,6-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is sourced from PubChem (CID 177247292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).