2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide

C30H31N5O2 — CID 118144211

About 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide

2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide (PubChem CID 118144211) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
• PubChem CID: 118144211
• Molecular Formula: C30H31N5O2
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.25
• IUPAC Name: 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(-c5cnn(C)c5)cc4)CC3)ccc2C)ccn1
• InChI: InChI=1S/C30H31N5O2/c1-20-4-5-26(17-28(20)33-29(36)25-10-13-31-21(2)16-25)30(37)35-14-11-24(12-15-35)22-6-8-23(9-7-22)27-18-32-34(3)19-27/h4-10,13,16-19,24H,11-12,14-15H2,1-3H3,(H,33,36)
• InChIKey: YBBJSRIIBGGYNO-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?

The IUPAC name of 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide (CID 118144211) is 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(-c5cnn(C)c5)cc4)CC3)ccc2C)ccn1.

What is the InChIKey of 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?

The InChIKey is YBBJSRIIBGGYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-20-4-5-26(17-28(20)33-29(36)25-10-13-31-21(2)16-25)30(37)35-14-11-24(12-15-35)22-6-8-23(9-7-22)27-18-32-34(3)19-27/h4-10,13,16-19,24H,11-12,14-15H2,1-3H3,(H,33,36).

What are the key properties of 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide?

2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 118144211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).