N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C29H35FN4O4S — CID 158773286

About N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 158773286) has the molecular formula C29H35FN4O4S and a molecular weight of 554.69 g/mol. Its IUPAC name is N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 158773286
• Molecular Formula: C29H35FN4O4S
• Molecular Weight: 554.69 g/mol
• Exact Mass: 554.24
• IUPAC Name: N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
• SMILES: CCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2CCC(C)CC2)n1
• InChI: InChI=1S/C29H35FN4O4S/c1-5-23-7-6-8-27(31-23)39(36,37)33-29(35)25-9-10-26(32-28(25)34-13-11-20(4)12-14-34)21-15-22(30)17-24(16-21)38-18-19(2)3/h6-10,15-17,19-20H,5,11-14,18H2,1-4H3,(H,33,35)
• InChIKey: MPNUCPCRGJCNIS-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.69
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 158773286) is N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CCc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2CCC(C)CC2)n1.

What is the InChIKey of N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

The InChIKey is MPNUCPCRGJCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O4S/c1-5-23-7-6-8-27(31-23)39(36,37)33-29(35)25-9-10-26(32-28(25)34-13-11-20(4)12-14-34)21-15-22(30)17-24(16-21)38-18-19(2)3/h6-10,15-17,19-20H,5,11-14,18H2,1-4H3,(H,33,35).

What are the key properties of N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?

N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 554.69 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-ethyl-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158773286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).