6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

C27H30FN3O6S — CID 138545819

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 138545819) has the molecular formula C27H30FN3O6S and a molecular weight of 543.62 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• PubChem CID: 138545819
• Molecular Formula: C27H30FN3O6S
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.18
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC2(C)COC2)n1
• InChI: InChI=1S/C27H30FN3O6S/c1-17(2)13-36-21-11-19(10-20(28)12-21)23-9-8-22(26(30-23)37-16-27(4)14-35-15-27)25(32)31-38(33,34)24-7-5-6-18(3)29-24/h5-12,17H,13-16H2,1-4H3,(H,31,32)
• InChIKey: LLIPVWGOSBGWRV-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 116.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 138545819) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC2(C)COC2)n1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide?

The InChIKey is LLIPVWGOSBGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O6S/c1-17(2)13-36-21-11-19(10-20(28)12-21)23-9-8-22(26(30-23)37-16-27(4)14-35-15-27)25(32)31-38(33,34)24-7-5-6-18(3)29-24/h5-12,17H,13-16H2,1-4H3,(H,31,32).

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

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(3-methyloxetan-3-yl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 138545819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).