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

C19H16ClN3O2 — CID 666086

IUPAC2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C1CC1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C19H16ClN3O2/c1-10-7-15-17(19(24)23(10)13-5-6-13)16(14(9-21)18(22)25-15)11-3-2-4-12(20)8-11/h2-4,7-8,13,16H,5-6,22H2,1H3
InChIKeyGBBRRWHDGZLYNT-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.36
Rot. Bonds2

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

2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 666086) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID666086
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1C1CC1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C19H16ClN3O2/c1-10-7-15-17(19(24)23(10)13-5-6-13)16(14(9-21)18(22)25-15)11-3-2-4-12(20)8-11/h2-4,7-8,13,16H,5-6,22H2,1H3
InChIKeyGBBRRWHDGZLYNT-UHFFFAOYSA-N
XLogP3.36
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 666086) is 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1C1CC1)C(c1cccc(Cl)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is GBBRRWHDGZLYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-10-7-15-17(19(24)23(10)13-5-6-13)16(14(9-21)18(22)25-15)11-3-2-4-12(20)8-11/h2-4,7-8,13,16H,5-6,22H2,1H3.
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 353.81 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-cyclopropyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 666086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).