2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C18H15ClFN3O2 — CID 23475363

IUPAC2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1c(F)cccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C18H15ClFN3O2/c1-2-4-9-7-13-16(18(24)23-9)14(10(8-21)17(22)25-13)15-11(19)5-3-6-12(15)20/h3,5-7,14H,2,4,22H2,1H3,(H,23,24)
InChIKeyUVNGMKYAGKSLER-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.34
Rot. Bonds3

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

2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 23475363) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID23475363
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCc1cc2c(c(=O)[nH]1)C(c1c(F)cccc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C18H15ClFN3O2/c1-2-4-9-7-13-16(18(24)23-9)14(10(8-21)17(22)25-13)15-11(19)5-3-6-12(15)20/h3,5-7,14H,2,4,22H2,1H3,(H,23,24)
InChIKeyUVNGMKYAGKSLER-UHFFFAOYSA-N
XLogP3.34
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 23475363) is 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is CCCc1cc2c(c(=O)[nH]1)C(c1c(F)cccc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is UVNGMKYAGKSLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-2-4-9-7-13-16(18(24)23-9)14(10(8-21)17(22)25-13)15-11(19)5-3-6-12(15)20/h3,5-7,14H,2,4,22H2,1H3,(H,23,24).
What are the key properties of 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 359.79 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 23475363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).