6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

C23H23N5O4 — CID 172819697

About 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 172819697) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 172819697
• Molecular Formula: C23H23N5O4
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.18
• IUPAC Name: 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
• SMILES: N#CCOc1ccc(-c2cn(-c3ccc(C(=O)NCCC4CCCO4)cn3)[nH]c2=O)cc1
• InChI: InChI=1S/C23H23N5O4/c24-10-13-32-19-6-3-16(4-7-19)20-15-28(27-23(20)30)21-8-5-17(14-26-21)22(29)25-11-9-18-2-1-12-31-18/h3-8,14-15,18H,1-2,9,11-13H2,(H,25,29)(H,27,30)
• InChIKey: UBAOAXSSIHVQJX-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 122.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (CID 172819697) is 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is N#CCOc1ccc(-c2cn(-c3ccc(C(=O)NCCC4CCCO4)cn3)[nH]c2=O)cc1.

What is the InChIKey of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?

The InChIKey is UBAOAXSSIHVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c24-10-13-32-19-6-3-16(4-7-19)20-15-28(27-23(20)30)21-8-5-17(14-26-21)22(29)25-11-9-18-2-1-12-31-18/h3-8,14-15,18H,1-2,9,11-13H2,(H,25,29)(H,27,30).

What are the key properties of 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?

6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(cyanomethoxy)phenyl]-5-oxo-1H-pyrazol-2-yl]-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172819697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).