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

C22H24N4OS — CID 53180874

IUPAC6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1cccs1)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C22H24N4OS/c27-22(24-12-11-18-8-5-15-28-18)19-9-4-10-21(25-19)26-14-13-23-20(16-26)17-6-2-1-3-7-17/h1-10,15,20,23H,11-14,16H2,(H,24,27)
InChIKeyPCBKBJDGVQEZMO-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.27
Rot. Bonds6

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

6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 53180874) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID53180874
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1cccs1)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C22H24N4OS/c27-22(24-12-11-18-8-5-15-28-18)19-9-4-10-21(25-19)26-14-13-23-20(16-26)17-6-2-1-3-7-17/h1-10,15,20,23H,11-14,16H2,(H,24,27)
InChIKeyPCBKBJDGVQEZMO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 53180874) is 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is O=C(NCCc1cccs1)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is PCBKBJDGVQEZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-22(24-12-11-18-8-5-15-28-18)19-9-4-10-21(25-19)26-14-13-23-20(16-26)17-6-2-1-3-7-17/h1-10,15,20,23H,11-14,16H2,(H,24,27).
What are the key properties of 6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide?
6-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-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-(3-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 53180874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).