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

C18H16ClN3O3 — CID 16823365

IUPAC2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCO)C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C18H16ClN3O3/c1-10-8-14-16(18(24)22(10)6-7-23)15(12(9-20)17(21)25-14)11-4-2-3-5-13(11)19/h2-5,8,15,23H,6-7,21H2,1H3
InChIKeyYPYRGQDSEWPKQX-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.02
Rot. Bonds3

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

2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 16823365) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID16823365
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCO)C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C18H16ClN3O3/c1-10-8-14-16(18(24)22(10)6-7-23)15(12(9-20)17(21)25-14)11-4-2-3-5-13(11)19/h2-5,8,15,23H,6-7,21H2,1H3
InChIKeyYPYRGQDSEWPKQX-UHFFFAOYSA-N
XLogP2.02
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.02
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-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 16823365) is 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCO)C(c1ccccc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is YPYRGQDSEWPKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-10-8-14-16(18(24)22(10)6-7-23)15(12(9-20)17(21)25-14)11-4-2-3-5-13(11)19/h2-5,8,15,23H,6-7,21H2,1H3.
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 357.80 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 16823365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).