N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C29H36FN5O4S — CID 121250613

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250613) has the molecular formula C29H36FN5O4S and a molecular weight of 569.70 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121250613
• Molecular Formula: C29H36FN5O4S
• Molecular Weight: 569.70 g/mol
• Exact Mass: 569.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: CCC1(C)CCCN(c2nc(-c3cc(F)cc(OCC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
• InChI: InChI=1S/C29H36FN5O4S/c1-5-29(4)12-7-13-35(18-29)27-23(28(36)34-40(37,38)26-9-6-8-25(31)33-26)10-11-24(32-27)20-14-21(30)16-22(15-20)39-17-19(2)3/h6,8-11,14-16,19H,5,7,12-13,17-18H2,1-4H3,(H2,31,33)(H,34,36)
• InChIKey: XRBRINRNJTVUNF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.70
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250613) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CCC1(C)CCCN(c2nc(-c3cc(F)cc(OCC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is XRBRINRNJTVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN5O4S/c1-5-29(4)12-7-13-35(18-29)27-23(28(36)34-40(37,38)26-9-6-8-25(31)33-26)10-11-24(32-27)20-14-21(30)16-22(15-20)39-17-19(2)3/h6,8-11,14-16,19H,5,7,12-13,17-18H2,1-4H3,(H2,31,33)(H,34,36).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 569.70 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-ethyl-3-methylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).