5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide

C23H27N7O3 — CID 144636224

About 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide

5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 144636224) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 144636224
• Molecular Formula: C23H27N7O3
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.22
• IUPAC Name: 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide
• SMILES: Cc1c(CCN2CCC(NC(=O)c3ccc(N4C=NNN4)cn3)CC2)ccc2c1COC2=O
• InChI: InChI=1S/C23H27N7O3/c1-15-16(2-4-19-20(15)13-33-23(19)32)6-9-29-10-7-17(8-11-29)26-22(31)21-5-3-18(12-24-21)30-14-25-27-28-30/h2-5,12,14,17,27-28H,6-11,13H2,1H3,(H,26,31)
• InChIKey: PCSFAZCIWHVERV-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 111.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide?

The IUPAC name of 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide (CID 144636224) is 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide is Cc1c(CCN2CCC(NC(=O)c3ccc(N4C=NNN4)cn3)CC2)ccc2c1COC2=O.

What is the InChIKey of 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide?

The InChIKey is PCSFAZCIWHVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-15-16(2-4-19-20(15)13-33-23(19)32)6-9-29-10-7-17(8-11-29)26-22(31)21-5-3-18(12-24-21)30-14-25-27-28-30/h2-5,12,14,17,27-28H,6-11,13H2,1H3,(H,26,31).

What are the key properties of 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide?

5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydrotetrazol-1-yl)-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 144636224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).