2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C23H24N4O3S — CID 46084272

IUPAC2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1
InChIInChI=1S/C23H24N4O3S/c1-30-20-9-3-2-7-18(20)23(29)27-13-11-26(12-14-27)21-19(8-4-10-24-21)22(28)25-16-17-6-5-15-31-17/h2-10,15H,11-14,16H2,1H3,(H,25,28)
InChIKeyJJJPUMWCAUGYRS-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.04
Rot. Bonds6

About 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46084272) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46084272
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1
InChIInChI=1S/C23H24N4O3S/c1-30-20-9-3-2-7-18(20)23(29)27-13-11-26(12-14-27)21-19(8-4-10-24-21)22(28)25-16-17-6-5-15-31-17/h2-10,15H,11-14,16H2,1H3,(H,25,28)
InChIKeyJJJPUMWCAUGYRS-UHFFFAOYSA-N
XLogP3.04
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 46084272) is 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is COc1ccccc1C(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JJJPUMWCAUGYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-30-20-9-3-2-7-18(20)23(29)27-13-11-26(12-14-27)21-19(8-4-10-24-21)22(28)25-16-17-6-5-15-31-17/h2-10,15H,11-14,16H2,1H3,(H,25,28).
What are the key properties of 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46084272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).