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

C25H21N5O3 — CID 59699658

IUPAC1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cnccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H21N5O3/c26-15-19-23(28-10-12-29(13-11-28)25(32)22-7-4-14-33-22)20-16-27-9-8-21(20)30(24(19)31)17-18-5-2-1-3-6-18/h1-9,14,16H,10-13,17H2
InChIKeyASWBJMZTQBGRES-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.87
Rot. Bonds4

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

1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile (PubChem CID 59699658) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile
PubChem CID59699658
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cnccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H21N5O3/c26-15-19-23(28-10-12-29(13-11-28)25(32)22-7-4-14-33-22)20-16-27-9-8-21(20)30(24(19)31)17-18-5-2-1-3-6-18/h1-9,14,16H,10-13,17H2
InChIKeyASWBJMZTQBGRES-UHFFFAOYSA-N
XLogP2.87
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile (CID 59699658) is 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile is N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cnccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile?
The InChIKey is ASWBJMZTQBGRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c26-15-19-23(28-10-12-29(13-11-28)25(32)22-7-4-14-33-22)20-16-27-9-8-21(20)30(24(19)31)17-18-5-2-1-3-6-18/h1-9,14,16H,10-13,17H2.
What are the key properties of 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile?
1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile has a molecular weight of 439.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 59699658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).