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

C16H13N3O2 — CID 2754039

IUPAC2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H13N3O2/c1-9-7-12-14(16(20)19-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3,(H,19,20)
InChIKeyRFKSFJCEGGRWFE-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.90
Rot. Bonds1

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

2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 2754039) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID2754039
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H13N3O2/c1-9-7-12-14(16(20)19-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3,(H,19,20)
InChIKeyRFKSFJCEGGRWFE-UHFFFAOYSA-N
XLogP1.90
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 2754039) is 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)C(c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is RFKSFJCEGGRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-9-7-12-14(16(20)19-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 2754039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).