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

C21H22FN3O3 — CID 23475711

IUPAC2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCOC)C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C21H22FN3O3/c1-3-6-13-11-17-19(21(26)25(13)9-10-27-2)18(15(12-23)20(24)28-17)14-7-4-5-8-16(14)22/h4-5,7-8,11,18H,3,6,9-10,24H2,1-2H3
InChIKeyJDMXJTKFHGFKTP-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.80
Rot. Bonds6

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

2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475711) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475711
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)n1CCOC)C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C21H22FN3O3/c1-3-6-13-11-17-19(21(26)25(13)9-10-27-2)18(15(12-23)20(24)28-17)14-7-4-5-8-16(14)22/h4-5,7-8,11,18H,3,6,9-10,24H2,1-2H3
InChIKeyJDMXJTKFHGFKTP-UHFFFAOYSA-N
XLogP2.80
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.80
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)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 23475711) is 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)n1CCOC)C(c1ccccc1F)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is JDMXJTKFHGFKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-3-6-13-11-17-19(21(26)25(13)9-10-27-2)18(15(12-23)20(24)28-17)14-7-4-5-8-16(14)22/h4-5,7-8,11,18H,3,6,9-10,24H2,1-2H3.
What are the key properties of 2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-fluorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 383.42 g/mol, XLogP of 2.80, 6 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)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).