1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C20H21FN4O2 — CID 16957063

IUPAC1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c1C#N
InChIInChI=1S/C20H21FN4O2/c1-14-11-15(2)25(20(27)18(14)12-22)13-19(26)24-9-7-23(8-10-24)17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3
InChIKeyUUZGQOXMISELOQ-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 16957063) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID16957063
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c1C#N
InChIInChI=1S/C20H21FN4O2/c1-14-11-15(2)25(20(27)18(14)12-22)13-19(26)24-9-7-23(8-10-24)17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3
InChIKeyUUZGQOXMISELOQ-UHFFFAOYSA-N
XLogP1.82
TPSA69.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 16957063) is 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c1C#N.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UUZGQOXMISELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-11-15(2)25(20(27)18(14)12-22)13-19(26)24-9-7-23(8-10-24)17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3.
What are the key properties of 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 368.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 16957063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).