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

C19H18FN3O3 — CID 667387

IUPAC2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOCCn1c(C)cc2c(c1=O)C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C19H18FN3O3/c1-11-9-15-17(19(24)23(11)7-8-25-2)16(13(10-21)18(22)26-15)12-5-3-4-6-14(12)20/h3-6,9,16H,7-8,22H2,1-2H3
InChIKeyIIGVZLSLUPATRA-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.16
Rot. Bonds4

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

2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 667387) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID667387
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCOCCn1c(C)cc2c(c1=O)C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C19H18FN3O3/c1-11-9-15-17(19(24)23(11)7-8-25-2)16(13(10-21)18(22)26-15)12-5-3-4-6-14(12)20/h3-6,9,16H,7-8,22H2,1-2H3
InChIKeyIIGVZLSLUPATRA-UHFFFAOYSA-N
XLogP2.16
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 667387) is 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is COCCn1c(C)cc2c(c1=O)C(c1ccccc1F)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is IIGVZLSLUPATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-9-15-17(19(24)23(11)7-8-25-2)16(13(10-21)18(22)26-15)12-5-3-4-6-14(12)20/h3-6,9,16H,7-8,22H2,1-2H3.
What are the key properties of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 355.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 667387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).