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

C19H19N3O2 — CID 5142096

IUPAC2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H19N3O2/c1-10(2)12-4-6-13(7-5-12)16-14(9-20)18(21)24-15-8-11(3)22-19(23)17(15)16/h4-8,10,16H,21H2,1-3H3,(H,22,23)
InChIKeyGGERAMZGKBVYIA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.02
Rot. Bonds2

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

2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 5142096) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID5142096
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)[nH]1)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H19N3O2/c1-10(2)12-4-6-13(7-5-12)16-14(9-20)18(21)24-15-8-11(3)22-19(23)17(15)16/h4-8,10,16H,21H2,1-3H3,(H,22,23)
InChIKeyGGERAMZGKBVYIA-UHFFFAOYSA-N
XLogP3.02
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.02
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-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 5142096) is 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)[nH]1)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is GGERAMZGKBVYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-10(2)12-4-6-13(7-5-12)16-14(9-20)18(21)24-15-8-11(3)22-19(23)17(15)16/h4-8,10,16H,21H2,1-3H3,(H,22,23).
What are the key properties of 2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 3.02, 2 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-(4-propan-2-ylphenyl)-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 5142096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).