6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C22H24N4OS — CID 95105130

IUPAC6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1
InChIInChI=1S/C22H24N4OS/c27-22(24-11-10-19-7-4-14-28-19)18-8-9-21(25-15-18)26-13-12-23-20(16-26)17-5-2-1-3-6-17/h1-9,14-15,20,23H,10-13,16H2,(H,24,27)/t20-/m0/s1
InChIKeyVIAXAZIINSWAIM-FQEVSTJZSA-N
MW392.53 g/mol
LogP3.27
Rot. Bonds6

About 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 95105130) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID95105130
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1
InChIInChI=1S/C22H24N4OS/c27-22(24-11-10-19-7-4-14-28-19)18-8-9-21(25-15-18)26-13-12-23-20(16-26)17-5-2-1-3-6-17/h1-9,14-15,20,23H,10-13,16H2,(H,24,27)/t20-/m0/s1
InChIKeyVIAXAZIINSWAIM-FQEVSTJZSA-N
XLogP3.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180758
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 37319565
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105158
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 95105130) is 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccs1)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1.
What is the InChIKey of 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is VIAXAZIINSWAIM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(24-11-10-19-7-4-14-28-19)18-8-9-21(25-15-18)26-13-12-23-20(16-26)17-5-2-1-3-6-17/h1-9,14-15,20,23H,10-13,16H2,(H,24,27)/t20-/m0/s1.
What are the key properties of 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 95105130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).