N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide

C17H20BrN7O2S — CID 55930362

About N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 55930362) has the molecular formula C17H20BrN7O2S and a molecular weight of 466.37 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide
• PubChem CID: 55930362
• Molecular Formula: C17H20BrN7O2S
• Molecular Weight: 466.37 g/mol
• Exact Mass: 465.06
• IUPAC Name: N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)CSc2nnnn2C2CC2)C1
• InChI: InChI=1S/C17H20BrN7O2S/c18-12-3-6-14(19-8-12)20-16(27)11-2-1-7-24(9-11)15(26)10-28-17-21-22-23-25(17)13-4-5-13/h3,6,8,11,13H,1-2,4-5,7,9-10H2,(H,19,20,27)
• InChIKey: LUQYOKMKFQGGSD-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.37
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide (CID 55930362) is N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)CSc2nnnn2C2CC2)C1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide?

The InChIKey is LUQYOKMKFQGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN7O2S/c18-12-3-6-14(19-8-12)20-16(27)11-2-1-7-24(9-11)15(26)10-28-17-21-22-23-25(17)13-4-5-13/h3,6,8,11,13H,1-2,4-5,7,9-10H2,(H,19,20,27).

What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide?

N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55930362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).