(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide

C24H27N5O — CID 92609626

About (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609626) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609626
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccnc2)C1
• InChI: InChI=1S/C24H27N5O/c1-25-23(30)24(9-5-11-29(17-24)16-19-6-4-10-26-13-19)12-20-7-2-3-8-22(20)21-14-27-18-28-15-21/h2-4,6-8,10,13-15,18H,5,9,11-12,16-17H2,1H3,(H,25,30)/t24-/m0/s1
• InChIKey: BJLYOQXRZHXHBN-DEOSSOPVSA-N
• XLogP: 3.11
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609626) is (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccnc2)C1.

What is the InChIKey of (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is BJLYOQXRZHXHBN-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N5O/c1-25-23(30)24(9-5-11-29(17-24)16-19-6-4-10-26-13-19)12-20-7-2-3-8-22(20)21-14-27-18-28-15-21/h2-4,6-8,10,13-15,18H,5,9,11-12,16-17H2,1H3,(H,25,30)/t24-/m0/s1.

What are the key properties of (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

(3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-1-(pyridin-3-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).