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

C21H22N4OS — CID 53180877

IUPAC6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C21H22N4OS/c26-21(23-14-17-8-5-13-27-17)18-9-4-10-20(24-18)25-12-11-22-19(15-25)16-6-2-1-3-7-16/h1-10,13,19,22H,11-12,14-15H2,(H,23,26)
InChIKeyBXQRRICQBQJHMS-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.22
Rot. Bonds5

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

6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 53180877) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID53180877
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C21H22N4OS/c26-21(23-14-17-8-5-13-27-17)18-9-4-10-20(24-18)25-12-11-22-19(15-25)16-6-2-1-3-7-16/h1-10,13,19,22H,11-12,14-15H2,(H,23,26)
InChIKeyBXQRRICQBQJHMS-UHFFFAOYSA-N
XLogP3.22
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.22
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-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 53180877) is 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccs1)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BXQRRICQBQJHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(23-14-17-8-5-13-27-17)18-9-4-10-20(24-18)25-12-11-22-19(15-25)16-6-2-1-3-7-16/h1-10,13,19,22H,11-12,14-15H2,(H,23,26).
What are the key properties of 6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
6-(3-phenylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.22, 5 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-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 53180877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).