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

C18H17N3O4 — CID 4318024

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C18H17N3O4/c1-9-6-14-16(18(22)21-9)15(11(8-19)17(20)25-14)10-4-5-12(23-2)13(7-10)24-3/h4-7,15H,20H2,1-3H3,(H,21,22)
InChIKeyPMSXGCWUZLOXDB-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.92
Rot. Bonds3

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

2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4318024) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4318024
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C18H17N3O4/c1-9-6-14-16(18(22)21-9)15(11(8-19)17(20)25-14)10-4-5-12(23-2)13(7-10)24-3/h4-7,15H,20H2,1-3H3,(H,21,22)
InChIKeyPMSXGCWUZLOXDB-UHFFFAOYSA-N
XLogP1.92
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 4318024) is 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is PMSXGCWUZLOXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-9-6-14-16(18(22)21-9)15(11(8-19)17(20)25-14)10-4-5-12(23-2)13(7-10)24-3/h4-7,15H,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 339.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4318024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).