2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile

C22H22N4O2 — CID 56705933

IUPAC2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCN3CCCC(c4ccccc4)C3)ccc2[nH]c1=O
InChIInChI=1S/C22H22N4O2/c23-14-18-13-19-20(24-21(18)27)8-10-26(22(19)28)12-11-25-9-4-7-17(15-25)16-5-2-1-3-6-16/h1-3,5-6,8,10,13,17H,4,7,9,11-12,15H2,(H,24,27)
InChIKeyFXWXQCPMWIWVRU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.44
Rot. Bonds4

About 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile

2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56705933) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56705933
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)n(CCN3CCCC(c4ccccc4)C3)ccc2[nH]c1=O
InChIInChI=1S/C22H22N4O2/c23-14-18-13-19-20(24-21(18)27)8-10-26(22(19)28)12-11-25-9-4-7-17(15-25)16-5-2-1-3-6-16/h1-3,5-6,8,10,13,17H,4,7,9,11-12,15H2,(H,24,27)
InChIKeyFXWXQCPMWIWVRU-UHFFFAOYSA-N
XLogP2.44
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile (CID 56705933) is 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2c(=O)n(CCN3CCCC(c4ccccc4)C3)ccc2[nH]c1=O.
What is the InChIKey of 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is FXWXQCPMWIWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-14-18-13-19-20(24-21(18)27)8-10-26(22(19)28)12-11-25-9-4-7-17(15-25)16-5-2-1-3-6-16/h1-3,5-6,8,10,13,17H,4,7,9,11-12,15H2,(H,24,27).
What are the key properties of 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile?
2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 374.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-6-[2-(3-phenylpiperidin-1-yl)ethyl]-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56705933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).