6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide

C24H26N6O2 — CID 172718136

About 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 172718136) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide
• PubChem CID: 172718136
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide
• SMILES: CCN1CCCC1CN(C)C(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1
• InChI: InChI=1S/C24H26N6O2/c1-3-29-12-4-5-20(29)15-28(2)24(32)19-10-11-22(26-14-19)30-16-21(23(31)27-30)18-8-6-17(13-25)7-9-18/h6-11,14,16,20H,3-5,12,15H2,1-2H3,(H,27,31)
• InChIKey: GDGNMIQYYBATMV-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 98.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide (CID 172718136) is 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide is CCN1CCCC1CN(C)C(=O)c1ccc(-n2cc(-c3ccc(C#N)cc3)c(=O)[nH]2)nc1.

What is the InChIKey of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide?

The InChIKey is GDGNMIQYYBATMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-3-29-12-4-5-20(29)15-28(2)24(32)19-10-11-22(26-14-19)30-16-21(23(31)27-30)18-8-6-17(13-25)7-9-18/h6-11,14,16,20H,3-5,12,15H2,1-2H3,(H,27,31).

What are the key properties of 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide?

6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 172718136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).