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

C19H19N3O4 — CID 3651160

IUPAC2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C19H19N3O4/c1-4-25-13-6-5-11(8-14(13)24-3)16-12(9-20)18(21)26-15-7-10(2)22-19(23)17(15)16/h5-8,16H,4,21H2,1-3H3,(H,22,23)
InChIKeyOTDYLDGVJALXAR-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.31
Rot. Bonds4

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

2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3651160) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3651160
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C19H19N3O4/c1-4-25-13-6-5-11(8-14(13)24-3)16-12(9-20)18(21)26-15-7-10(2)22-19(23)17(15)16/h5-8,16H,4,21H2,1-3H3,(H,22,23)
InChIKeyOTDYLDGVJALXAR-UHFFFAOYSA-N
XLogP2.31
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 3651160) is 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC.
What is the InChIKey of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is OTDYLDGVJALXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-4-25-13-6-5-11(8-14(13)24-3)16-12(9-20)18(21)26-15-7-10(2)22-19(23)17(15)16/h5-8,16H,4,21H2,1-3H3,(H,22,23).
What are the key properties of 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3651160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).