1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C17H21N5O5S — CID 22430686

About 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 22430686) has the molecular formula C17H21N5O5S and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 22430686
• Molecular Formula: C17H21N5O5S
• Molecular Weight: 407.45 g/mol
• Exact Mass: 407.13
• IUPAC Name: 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)n1
• InChI: InChI=1S/C17H21N5O5S/c1-10-5-3-7-13(18-10)20-15(23)12-6-4-8-22(9-12)28(26,27)14-11(2)19-17(25)21-16(14)24/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,18,20,23)(H2,19,21,24,25)
• InChIKey: CNVHQQCZGAJWQC-UHFFFAOYSA-N
• XLogP: 0.11
• TPSA: 145.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.45
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 22430686) is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)n1.

What is the InChIKey of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is CNVHQQCZGAJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5S/c1-10-5-3-7-13(18-10)20-15(23)12-6-4-8-22(9-12)28(26,27)14-11(2)19-17(25)21-16(14)24/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,18,20,23)(H2,19,21,24,25).

What are the key properties of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 22430686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).