6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one

C17H14FN3O2 — CID 9025204

IUPAC6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(-c3ccccc3F)o2)c(=O)c1
InChIInChI=1S/C17H14FN3O2/c1-11-8-16(19)21(17(22)9-11)20-10-12-6-7-15(23-12)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3/b20-10-
InChIKeyUJLMHQHVSHCULO-JMIUGGIZSA-N
MW311.32 g/mol
LogP3.02
Rot. Bonds3

About 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 9025204) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
PubChem CID9025204
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(-c3ccccc3F)o2)c(=O)c1
InChIInChI=1S/C17H14FN3O2/c1-11-8-16(19)21(17(22)9-11)20-10-12-6-7-15(23-12)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3/b20-10-
InChIKeyUJLMHQHVSHCULO-JMIUGGIZSA-N
XLogP3.02
TPSA73.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one (CID 9025204) is 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one is Cc1cc(N)n(/N=C\c2ccc(-c3ccccc3F)o2)c(=O)c1.
What is the InChIKey of 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is UJLMHQHVSHCULO-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-8-16(19)21(17(22)9-11)20-10-12-6-7-15(23-12)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3/b20-10-.
What are the key properties of 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 311.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 9025204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).