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

C18H15Cl2N3O3 — CID 7385022

IUPAC(4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCO)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C18H15Cl2N3O3/c1-9-6-14-16(18(25)23(9)4-5-24)15(12(8-21)17(22)26-14)11-3-2-10(19)7-13(11)20/h2-3,6-7,15,24H,4-5,22H2,1H3/t15-/m1/s1
InChIKeyRJKZNENNOAYLDL-OAHLLOKOSA-N
MW392.24 g/mol
LogP2.67
Rot. Bonds3

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

(4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 7385022) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID7385022
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name(4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCO)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C18H15Cl2N3O3/c1-9-6-14-16(18(25)23(9)4-5-24)15(12(8-21)17(22)26-14)11-3-2-10(19)7-13(11)20/h2-3,6-7,15,24H,4-5,22H2,1H3/t15-/m1/s1
InChIKeyRJKZNENNOAYLDL-OAHLLOKOSA-N
XLogP2.67
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 7385022) is (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCO)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is RJKZNENNOAYLDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-9-6-14-16(18(25)23(9)4-5-24)15(12(8-21)17(22)26-14)11-3-2-10(19)7-13(11)20/h2-3,6-7,15,24H,4-5,22H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
(4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 392.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 7385022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).