N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide

C23H26FN5O — CID 110261221

About N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide (PubChem CID 110261221) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
• PubChem CID: 110261221
• Molecular Formula: C23H26FN5O
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.21
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide
• SMILES: Cc1nc(C2CCCN2Cc2cnn(C)c2)ccc1C(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C23H26FN5O/c1-16-20(23(30)25-12-17-5-7-19(24)8-6-17)9-10-21(27-16)22-4-3-11-29(22)15-18-13-26-28(2)14-18/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,25,30)
• InChIKey: FSNFOSMWJODXKK-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide (CID 110261221) is N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide is Cc1nc(C2CCCN2Cc2cnn(C)c2)ccc1C(=O)NCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?

The InChIKey is FSNFOSMWJODXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-16-20(23(30)25-12-17-5-7-19(24)8-6-17)9-10-21(27-16)22-4-3-11-29(22)15-18-13-26-28(2)14-18/h5-10,13-14,22H,3-4,11-12,15H2,1-2H3,(H,25,30).

What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide?

N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110261221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).