6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one

C15H15F2N3O3 — CID 23376478

IUPAC6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OC(F)F
InChIInChI=1S/C15H15F2N3O3/c1-9-5-13(18)20(14(21)6-9)19-8-10-3-4-11(23-15(16)17)12(7-10)22-2/h3-8,15H,18H2,1-2H3
InChIKeyNCVIBBKSXWYQPU-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.23
Rot. Bonds5

About 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 23376478) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
PubChem CID23376478
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OC(F)F
InChIInChI=1S/C15H15F2N3O3/c1-9-5-13(18)20(14(21)6-9)19-8-10-3-4-11(23-15(16)17)12(7-10)22-2/h3-8,15H,18H2,1-2H3
InChIKeyNCVIBBKSXWYQPU-UHFFFAOYSA-N
XLogP2.23
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
6-amino-1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376481
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376474
[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxyphenyl] furan-2-carboxylate
CID 9024509
6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376504
6-amino-1-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771045
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
CID 9024468
4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxy-6-nitrophenolate
CID 9024841

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one (CID 23376478) is 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one is COc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OC(F)F.
What is the InChIKey of 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is NCVIBBKSXWYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-9-5-13(18)20(14(21)6-9)19-8-10-3-4-11(23-15(16)17)12(7-10)22-2/h3-8,15H,18H2,1-2H3.
What are the key properties of 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 323.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 23376478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).