N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide

C29H31N7O4S — CID 121254004

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 121254004) has the molecular formula C29H31N7O4S and a molecular weight of 573.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121254004
• Molecular Formula: C29H31N7O4S
• Molecular Weight: 573.68 g/mol
• Exact Mass: 573.22
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(c4ccccn4)C3)n2)cn1
• InChI: InChI=1S/C29H31N7O4S/c1-19(2)40-26-14-11-20(17-32-26)24-13-12-22(29(37)35-41(38,39)27-10-5-9-25(30)34-27)28(33-24)36-16-6-7-21(18-36)23-8-3-4-15-31-23/h3-5,8-15,17,19,21H,6-7,16,18H2,1-2H3,(H2,30,34)(H,35,37)
• InChIKey: GJBMATZMUYMHMU-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 153.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.68
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide (CID 121254004) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC(c4ccccn4)C3)n2)cn1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide?

The InChIKey is GJBMATZMUYMHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O4S/c1-19(2)40-26-14-11-20(17-32-26)24-13-12-22(29(37)35-41(38,39)27-10-5-9-25(30)34-27)28(33-24)36-16-6-7-21(18-36)23-8-3-4-15-31-23/h3-5,8-15,17,19,21H,6-7,16,18H2,1-2H3,(H2,30,34)(H,35,37).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 573.68 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-(3-pyridin-2-ylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121254004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).