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

C20H21N3O4 — CID 3777819

IUPAC2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCC
InChIInChI=1S/C20H21N3O4/c1-4-25-14-8-6-7-12(18(14)26-5-2)16-13(10-21)19(22)27-15-9-11(3)23-20(24)17(15)16/h6-9,16H,4-5,22H2,1-3H3,(H,23,24)
InChIKeyIRLPEVBHKIDSKK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.70
Rot. Bonds5

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

2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3777819) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3777819
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCC
InChIInChI=1S/C20H21N3O4/c1-4-25-14-8-6-7-12(18(14)26-5-2)16-13(10-21)19(22)27-15-9-11(3)23-20(24)17(15)16/h6-9,16H,4-5,22H2,1-3H3,(H,23,24)
InChIKeyIRLPEVBHKIDSKK-UHFFFAOYSA-N
XLogP2.70
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 3777819) is 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is CCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCC.
What is the InChIKey of 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is IRLPEVBHKIDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-25-14-8-6-7-12(18(14)26-5-2)16-13(10-21)19(22)27-15-9-11(3)23-20(24)17(15)16/h6-9,16H,4-5,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3777819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).