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

C26H29N5O2 — CID 95805848

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

N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805848) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 95805848
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccn2)CC1
• InChI: InChI=1S/C26H29N5O2/c1-19(2)30-25(33)26(9-12-31(13-10-26)24(32)23-8-3-4-11-29-23)15-20-6-5-7-21(14-20)22-16-27-18-28-17-22/h3-8,11,14,16-19H,9-10,12-13,15H2,1-2H3,(H,30,33)
• InChIKey: PYDGRWNVKPAQNH-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805848) is N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccn2)CC1.

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

The InChIKey is PYDGRWNVKPAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19(2)30-25(33)26(9-12-31(13-10-26)24(32)23-8-3-4-11-29-23)15-20-6-5-7-21(14-20)22-16-27-18-28-17-22/h3-8,11,14,16-19H,9-10,12-13,15H2,1-2H3,(H,30,33).

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

N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).