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

C26H29N5O2 — CID 92579676

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

(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92579676) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92579676
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cnccn2)C1
• InChI: InChI=1S/C26H29N5O2/c1-19(2)30-25(33)26(9-4-14-31(18-26)24(32)23-17-28-12-13-29-23)16-20-5-3-6-22(15-20)21-7-10-27-11-8-21/h3,5-8,10-13,15,17,19H,4,9,14,16,18H2,1-2H3,(H,30,33)/t26-/m1/s1
• InChIKey: ZVAJRXDDSJJEPJ-AREMUKBSSA-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 (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92579676) is (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cnccn2)C1.

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

The InChIKey is ZVAJRXDDSJJEPJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19(2)30-25(33)26(9-4-14-31(18-26)24(32)23-17-28-12-13-29-23)16-20-5-3-6-22(15-20)21-7-10-27-11-8-21/h3,5-8,10-13,15,17,19H,4,9,14,16,18H2,1-2H3,(H,30,33)/t26-/m1/s1.

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

(3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-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 (3R)-N-propan-2-yl-1-(pyrazine-2-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92579676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).