4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide

C22H25N5O2 — CID 172673540

About 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 172673540) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 172673540
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
• InChI: InChI=1S/C22H25N5O2/c1-15-9-12-27(14-16-3-2-10-23-13-16)22(29)20(15)21(28)25-18-6-4-17(5-7-18)19-8-11-24-26-19/h4-9,11-12,16,23H,2-3,10,13-14H2,1H3,(H,24,26)(H,25,28)
• InChIKey: QAQPMNTZCHZUIC-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 91.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide (CID 172673540) is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1ccc(-c2ccn[nH]2)cc1.

What is the InChIKey of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is QAQPMNTZCHZUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-9-12-27(14-16-3-2-10-23-13-16)22(29)20(15)21(28)25-18-6-4-17(5-7-18)19-8-11-24-26-19/h4-9,11-12,16,23H,2-3,10,13-14H2,1H3,(H,24,26)(H,25,28).

What are the key properties of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide?

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 172673540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).