4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile

C26H21N5O4 — CID 59699672

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cnccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C26H21N5O4/c27-15-19-24(29-10-12-30(13-11-29)26(34)23-7-4-14-35-23)20-16-28-9-8-21(20)31(25(19)33)17-22(32)18-5-2-1-3-6-18/h1-9,14,16H,10-13,17H2
InChIKeyLIDHEWGTZWUHEV-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.71
Rot. Bonds5

About 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile

4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile (PubChem CID 59699672) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile
PubChem CID59699672
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cnccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C26H21N5O4/c27-15-19-24(29-10-12-30(13-11-29)26(34)23-7-4-14-35-23)20-16-28-9-8-21(20)31(25(19)33)17-22(32)18-5-2-1-3-6-18/h1-9,14,16H,10-13,17H2
InChIKeyLIDHEWGTZWUHEV-UHFFFAOYSA-N
XLogP2.71
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile (CID 59699672) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile is N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cnccc2n(CC(=O)c2ccccc2)c1=O.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile?
The InChIKey is LIDHEWGTZWUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c27-15-19-24(29-10-12-30(13-11-29)26(34)23-7-4-14-35-23)20-16-28-9-8-21(20)31(25(19)33)17-22(32)18-5-2-1-3-6-18/h1-9,14,16H,10-13,17H2.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile?
4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile has a molecular weight of 467.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 59699672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).