N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide

C25H28N6O2 — CID 110084114

About N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide

N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110084114) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 110084114
• Molecular Formula: C25H28N6O2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.23
• IUPAC Name: N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2cnccn2)CC1
• InChI: InChI=1S/C25H28N6O2/c1-18(2)30-24(33)25(6-10-31(11-7-25)23(32)22-16-26-8-9-29-22)13-19-4-3-5-20(12-19)21-14-27-17-28-15-21/h3-5,8-9,12,14-18H,6-7,10-11,13H2,1-2H3,(H,30,33)
• InChIKey: RBPZEOUQANBJRR-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 100.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (CID 110084114) is N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2cnccn2)CC1.

What is the InChIKey of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is RBPZEOUQANBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-18(2)30-24(33)25(6-10-31(11-7-25)23(32)22-16-26-8-9-29-22)13-19-4-3-5-20(12-19)21-14-27-17-28-15-21/h3-5,8-9,12,14-18H,6-7,10-11,13H2,1-2H3,(H,30,33).

What are the key properties of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?

N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110084114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).