2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C15H14N4O2 — CID 2812129

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H14N4O2/c16-11-12-3-1-5-17-14(12)18-6-8-19(9-7-18)15(20)13-4-2-10-21-13/h1-5,10H,6-9H2
InChIKeySCLGMRVBECDXGE-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.51
Rot. Bonds2

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 2812129) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID2812129
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H14N4O2/c16-11-12-3-1-5-17-14(12)18-6-8-19(9-7-18)15(20)13-4-2-10-21-13/h1-5,10H,6-9H2
InChIKeySCLGMRVBECDXGE-UHFFFAOYSA-N
XLogP1.51
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(5-ethylfuran-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 56819097
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
CID 857474
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 2812129) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SCLGMRVBECDXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-11-12-3-1-5-17-14(12)18-6-8-19(9-7-18)15(20)13-4-2-10-21-13/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 2812129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).