2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C16H12FN3O2 — CID 3257869

IUPAC2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C(c1cccc(F)c1)C(C#N)=C(N)O2
InChIInChI=1S/C16H12FN3O2/c1-8-5-12-14(16(21)20-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,13H,19H2,1H3,(H,20,21)
InChIKeyDASZZEJUMGTMIH-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.04
Rot. Bonds1

About 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3257869) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3257869
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C(c1cccc(F)c1)C(C#N)=C(N)O2
InChIInChI=1S/C16H12FN3O2/c1-8-5-12-14(16(21)20-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,13H,19H2,1H3,(H,20,21)
InChIKeyDASZZEJUMGTMIH-UHFFFAOYSA-N
XLogP2.04
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 3257869) is 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)C(c1cccc(F)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is DASZZEJUMGTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-8-5-12-14(16(21)20-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,13H,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 297.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3257869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).