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

C27H32FN5O4S — CID 121252815

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide (PubChem CID 121252815) has the molecular formula C27H32FN5O4S and a molecular weight of 541.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121252815
• Molecular Formula: C27H32FN5O4S
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.22
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@H](C)C3)n2)c1
• InChI: InChI=1S/C27H32FN5O4S/c1-17(2)16-37-21-13-19(12-20(28)14-21)23-10-9-22(26(30-23)33-11-5-6-18(3)15-33)27(34)32-38(35,36)25-8-4-7-24(29)31-25/h4,7-10,12-14,17-18H,5-6,11,15-16H2,1-3H3,(H2,29,31)(H,32,34)/t18-/m0/s1
• InChIKey: PQJRRDGZXHWTHQ-SFHVURJKSA-N
• XLogP: 4.25
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	4.25
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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide (CID 121252815) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@H](C)C3)n2)c1.

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

The InChIKey is PQJRRDGZXHWTHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C27H32FN5O4S/c1-17(2)16-37-21-13-19(12-20(28)14-21)23-10-9-22(26(30-23)33-11-5-6-18(3)15-33)27(34)32-38(35,36)25-8-4-7-24(29)31-25/h4,7-10,12-14,17-18H,5-6,11,15-16H2,1-3H3,(H2,29,31)(H,32,34)/t18-/m0/s1.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 4.25, 8 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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121252815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).