2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C17H18N4OS — CID 133396446

IUPAC2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)c3cccs3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H18N4OS/c1-12-10-15(14(11-18)13(2)19-12)20-5-7-21(8-6-20)17(22)16-4-3-9-23-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUHXWGWHKYZJBER-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.59
Rot. Bonds2

About 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 133396446) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID133396446
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)c3cccs3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H18N4OS/c1-12-10-15(14(11-18)13(2)19-12)20-5-7-21(8-6-20)17(22)16-4-3-9-23-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUHXWGWHKYZJBER-UHFFFAOYSA-N
XLogP2.59
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396612
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
3-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]propanoic acid
CID 81049314
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
CID 133396605
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 133396446) is 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCN(C(=O)c3cccs3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is UHXWGWHKYZJBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-10-15(14(11-18)13(2)19-12)20-5-7-21(8-6-20)17(22)16-4-3-9-23-16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 326.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133396446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).