N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide

C35H41N5O2 — CID 159153204

About N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide

N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 159153204) has the molecular formula C35H41N5O2 and a molecular weight of 563.75 g/mol. Its IUPAC name is N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
• PubChem CID: 159153204
• Molecular Formula: C35H41N5O2
• Molecular Weight: 563.75 g/mol
• Exact Mass: 563.33
• IUPAC Name: N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C(C)C)c4)cc3)CC2)cc1NC(=O)c1ccc(CC(C)C)nc1
• InChI: InChI=1S/C35H41N5O2/c1-23(2)18-32-13-12-30(20-36-32)34(41)38-33-19-29(7-6-25(33)5)35(42)39-16-14-28(15-17-39)26-8-10-27(11-9-26)31-21-37-40(22-31)24(3)4/h6-13,19-24,28H,14-18H2,1-5H3,(H,38,41)
• InChIKey: KJOJAQXIOOGJCD-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.75
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide (CID 159153204) is N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C(C)C)c4)cc3)CC2)cc1NC(=O)c1ccc(CC(C)C)nc1.

What is the InChIKey of N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?

The InChIKey is KJOJAQXIOOGJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O2/c1-23(2)18-32-13-12-30(20-36-32)34(41)38-33-19-29(7-6-25(33)5)35(42)39-16-14-28(15-17-39)26-8-10-27(11-9-26)31-21-37-40(22-31)24(3)4/h6-13,19-24,28H,14-18H2,1-5H3,(H,38,41).

What are the key properties of N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?

N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 563.75 g/mol, XLogP of 7.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 159153204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).