N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide

C29H36N4O4 — CID 101064384

About N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide

N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide (PubChem CID 101064384) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
• PubChem CID: 101064384
• Molecular Formula: C29H36N4O4
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.27
• IUPAC Name: N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1ccc(Oc2ncccc2C(=O)NC[C@@H](O)CN2CCN(c3ccccc3OC(C)C)CC2)cc1
• InChI: InChI=1S/C29H36N4O4/c1-21(2)36-27-9-5-4-8-26(27)33-17-15-32(16-18-33)20-23(34)19-31-28(35)25-7-6-14-30-29(25)37-24-12-10-22(3)11-13-24/h4-14,21,23,34H,15-20H2,1-3H3,(H,31,35)/t23-/m1/s1
• InChIKey: IVNUKWQMKLKFEF-HSZRJFAPSA-N
• XLogP: 3.88
• TPSA: 87.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide (CID 101064384) is N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide is Cc1ccc(Oc2ncccc2C(=O)NC[C@@H](O)CN2CCN(c3ccccc3OC(C)C)CC2)cc1.

What is the InChIKey of N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?

The InChIKey is IVNUKWQMKLKFEF-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-21(2)36-27-9-5-4-8-26(27)33-17-15-32(16-18-33)20-23(34)19-31-28(35)25-7-6-14-30-29(25)37-24-12-10-22(3)11-13-24/h4-14,21,23,34H,15-20H2,1-3H3,(H,31,35)/t23-/m1/s1.

What are the key properties of N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide?

N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 101064384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).