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

C27H30FN3O5S — CID 160923709

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

2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 160923709) has the molecular formula C27H30FN3O5S and a molecular weight of 527.62 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• PubChem CID: 160923709
• Molecular Formula: C27H30FN3O5S
• Molecular Weight: 527.62 g/mol
• Exact Mass: 527.19
• IUPAC Name: 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCCC2CC2)n1
• InChI: InChI=1S/C27H30FN3O5S/c1-17(2)16-36-22-14-20(13-21(28)15-22)24-10-9-23(27(30-24)35-12-11-19-7-8-19)26(32)31-37(33,34)25-6-4-5-18(3)29-25/h4-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-3H3,(H,31,32)
• InChIKey: YCJAMAKKSPRUOO-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 107.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.62
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 160923709) is 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCCC2CC2)n1.

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

The InChIKey is YCJAMAKKSPRUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5S/c1-17(2)16-36-22-14-20(13-21(28)15-22)24-10-9-23(27(30-24)35-12-11-19-7-8-19)26(32)31-37(33,34)25-6-4-5-18(3)29-25/h4-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-3H3,(H,31,32).

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

2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 160923709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).