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6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

C21H22N6O — CID 168856729

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H22N6O/c1-2-17-10-18-19(25-21(17)28)9-16(13-23-18)14-26-5-7-27(8-6-26)20-4-3-15(11-22)12-24-20/h3-4,9-10,12-13H,2,5-8,14H2,1H3,(H,25,28)
InChIKeyUUSYWAOLSQWHPO-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.07
Rot. Bonds4

About 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 168856729) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID168856729
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C21H22N6O/c1-2-17-10-18-19(25-21(17)28)9-16(13-23-18)14-26-5-7-27(8-6-26)20-4-3-15(11-22)12-24-20/h3-4,9-10,12-13H,2,5-8,14H2,1H3,(H,25,28)
InChIKeyUUSYWAOLSQWHPO-UHFFFAOYSA-N
XLogP2.07
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 168856729) is 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is CCc1cc2ncc(CN3CCN(c4ccc(C#N)cn4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is UUSYWAOLSQWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-17-10-18-19(25-21(17)28)9-16(13-23-18)14-26-5-7-27(8-6-26)20-4-3-15(11-22)12-24-20/h3-4,9-10,12-13H,2,5-8,14H2,1H3,(H,25,28).
What are the key properties of 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 374.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 168856729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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