5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C15H17BrN4O2 — CID 171992775

IUPAC5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H17BrN4O2/c16-12-8-11(9-17)14(18-10-12)19-3-5-20(6-4-19)15(21)13-2-1-7-22-13/h8,10,13H,1-7H2
InChIKeyTZQNTWVJHIWSKP-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.54
Rot. Bonds2

About 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 171992775) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID171992775
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H17BrN4O2/c16-12-8-11(9-17)14(18-10-12)19-3-5-20(6-4-19)15(21)13-2-1-7-22-13/h8,10,13H,1-7H2
InChIKeyTZQNTWVJHIWSKP-UHFFFAOYSA-N
XLogP1.54
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 83970308
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
5-nitro-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 7761304
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 76848485
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
8-chloro-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 91953635
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 171992775) is 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is TZQNTWVJHIWSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-12-8-11(9-17)14(18-10-12)19-3-5-20(6-4-19)15(21)13-2-1-7-22-13/h8,10,13H,1-7H2.
What are the key properties of 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 365.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171992775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).