N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C28H34FN5O4S — CID 121251619

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121251619) has the molecular formula C28H34FN5O4S and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121251619
• Molecular Formula: C28H34FN5O4S
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(NCC3CCCCC3)n2)c1
• InChI: InChI=1S/C28H34FN5O4S/c1-18(2)17-38-22-14-20(13-21(29)15-22)24-12-11-23(27(32-24)31-16-19-7-4-3-5-8-19)28(35)34-39(36,37)26-10-6-9-25(30)33-26/h6,9-15,18-19H,3-5,7-8,16-17H2,1-2H3,(H2,30,33)(H,31,32)(H,34,35)
• InChIKey: QMALGVMISRBQCG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 136.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121251619) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(NCC3CCCCC3)n2)c1.

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

The InChIKey is QMALGVMISRBQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4S/c1-18(2)17-38-22-14-20(13-21(29)15-22)24-12-11-23(27(32-24)31-16-19-7-4-3-5-8-19)28(35)34-39(36,37)26-10-6-9-25(30)33-26/h6,9-15,18-19H,3-5,7-8,16-17H2,1-2H3,(H2,30,33)(H,31,32)(H,34,35).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(cyclohexylmethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121251619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).