3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile

C24H23N5O2 — CID 10341658

IUPAC3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N3CCN(C(=O)C4CCCO4)CC3)cc3cccnc23)c1
InChIInChI=1S/C24H23N5O2/c25-16-17-4-1-5-18(14-17)23-22-19(6-2-8-26-22)15-21(27-23)28-9-11-29(12-10-28)24(30)20-7-3-13-31-20/h1-2,4-6,8,14-15,20H,3,7,9-13H2
InChIKeyQJWQNXFZGLFURL-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.00
Rot. Bonds3

About 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile

3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile (PubChem CID 10341658) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
PubChem CID10341658
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N3CCN(C(=O)C4CCCO4)CC3)cc3cccnc23)c1
InChIInChI=1S/C24H23N5O2/c25-16-17-4-1-5-18(14-17)23-22-19(6-2-8-26-22)15-21(27-23)28-9-11-29(12-10-28)24(30)20-7-3-13-31-20/h1-2,4-6,8,14-15,20H,3,7,9-13H2
InChIKeyQJWQNXFZGLFURL-UHFFFAOYSA-N
XLogP3.00
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10089791
[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91953490
[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122349768
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171992775
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 91953635
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The IUPAC name of 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile (CID 10341658) is 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile.
What is the SMILES notation for 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The canonical SMILES for 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile is N#Cc1cccc(-c2nc(N3CCN(C(=O)C4CCCO4)CC3)cc3cccnc23)c1.
What is the InChIKey of 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
The InChIKey is QJWQNXFZGLFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-16-17-4-1-5-18(14-17)23-22-19(6-2-8-26-22)15-21(27-23)28-9-11-29(12-10-28)24(30)20-7-3-13-31-20/h1-2,4-6,8,14-15,20H,3,7,9-13H2.
What are the key properties of 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile?
3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile has a molecular weight of 413.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile is sourced from PubChem (CID 10341658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).