3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide

C23H25N3O2 — CID 125439779

About 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide

3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide (PubChem CID 125439779) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
• PubChem CID: 125439779
• Molecular Formula: C23H25N3O2
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.19
• IUPAC Name: 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
• SMILES: COC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2ccc(C)c(C)n2)c1
• InChI: InChI=1S/C23H25N3O2/c1-16-11-12-20(25-17(16)2)18-8-7-9-19(14-18)23(27)26(3)22(15-28-4)21-10-5-6-13-24-21/h5-14,22H,15H2,1-4H3/t22-/m1/s1
• InChIKey: MHCANTSVRAQVGM-JOCHJYFZSA-N
• XLogP: 4.22
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

The IUPAC name of 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide (CID 125439779) is 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide.

What is the SMILES notation for 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

The canonical SMILES for 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide is COC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2ccc(C)c(C)n2)c1.

What is the InChIKey of 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

The InChIKey is MHCANTSVRAQVGM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-11-12-20(25-17(16)2)18-8-7-9-19(14-18)23(27)26(3)22(15-28-4)21-10-5-6-13-24-21/h5-14,22H,15H2,1-4H3/t22-/m1/s1.

What are the key properties of 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide is sourced from PubChem (CID 125439779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).