3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide

C23H24F2N4O2 — CID 67261664

About 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide

3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide (PubChem CID 67261664) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
• PubChem CID: 67261664
• Molecular Formula: C23H24F2N4O2
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
• SMILES: CN(C(=O)c1ncc(F)cc1F)C(CCNC(=O)c1cccn1C)Cc1ccccc1
• InChI: InChI=1S/C23H24F2N4O2/c1-28-12-6-9-20(28)22(30)26-11-10-18(13-16-7-4-3-5-8-16)29(2)23(31)21-19(25)14-17(24)15-27-21/h3-9,12,14-15,18H,10-11,13H2,1-2H3,(H,26,30)
• InChIKey: JFPSZMDIZFNBJE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide?

The IUPAC name of 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide (CID 67261664) is 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide is CN(C(=O)c1ncc(F)cc1F)C(CCNC(=O)c1cccn1C)Cc1ccccc1.

What is the InChIKey of 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide?

The InChIKey is JFPSZMDIZFNBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-28-12-6-9-20(28)22(30)26-11-10-18(13-16-7-4-3-5-8-16)29(2)23(31)21-19(25)14-17(24)15-27-21/h3-9,12,14-15,18H,10-11,13H2,1-2H3,(H,26,30).

What are the key properties of 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide?

3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67261664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).