2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C24H20ClN3O2 — CID 3768542

IUPAC2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCc1ccccc1)C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C24H20ClN3O2/c1-15-13-20-22(24(29)28(15)12-11-16-7-3-2-4-8-16)21(18(14-26)23(27)30-20)17-9-5-6-10-19(17)25/h2-10,13,21H,11-12,27H2,1H3
InChIKeyUWCLWDISUYEPTA-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.27
Rot. Bonds4

About 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3768542) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3768542
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCc1ccccc1)C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C24H20ClN3O2/c1-15-13-20-22(24(29)28(15)12-11-16-7-3-2-4-8-16)21(18(14-26)23(27)30-20)17-9-5-6-10-19(17)25/h2-10,13,21H,11-12,27H2,1H3
InChIKeyUWCLWDISUYEPTA-UHFFFAOYSA-N
XLogP4.27
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3768542) is 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCc1ccccc1)C(c1ccccc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is UWCLWDISUYEPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-15-13-20-22(24(29)28(15)12-11-16-7-3-2-4-8-16)21(18(14-26)23(27)30-20)17-9-5-6-10-19(17)25/h2-10,13,21H,11-12,27H2,1H3.
What are the key properties of 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 417.90 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3768542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).