(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C26H28N4O2 — CID 92609452

About (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609452) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609452
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1
• InChI: InChI=1S/C26H28N4O2/c1-27-25(32)26(16-21-8-2-3-10-23(21)22-9-5-13-29-18-22)11-6-14-30(19-26)24(31)15-20-7-4-12-28-17-20/h2-5,7-10,12-13,17-18H,6,11,14-16,19H2,1H3,(H,27,32)/t26-/m0/s1
• InChIKey: FGDKRFRVKWMYDJ-SANMLTNESA-N
• XLogP: 3.28
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609452) is (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1.

What is the InChIKey of (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is FGDKRFRVKWMYDJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H28N4O2/c1-27-25(32)26(16-21-8-2-3-10-23(21)22-9-5-13-29-18-22)11-6-14-30(19-26)24(31)15-20-7-4-12-28-17-20/h2-5,7-10,12-13,17-18H,6,11,14-16,19H2,1H3,(H,27,32)/t26-/m0/s1.

What are the key properties of (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).