(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H24N6O — CID 129335114

About (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 129335114) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
• PubChem CID: 129335114
• Molecular Formula: C17H24N6O
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.20
• IUPAC Name: (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
• SMILES: C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)n1cncn1
• InChI: InChI=1S/C17H24N6O/c1-13(23-12-19-11-20-23)17(24)22(3)10-15-6-8-21(2)16(15)14-5-4-7-18-9-14/h4-5,7,9,11-13,15-16H,6,8,10H2,1-3H3/t13-,15+,16+/m1/s1
• InChIKey: OQMWHFIDSQKXBK-KBMXLJTQSA-N
• XLogP: 1.39
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?

The IUPAC name of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 129335114) is (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

What is the SMILES notation for (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?

The canonical SMILES for (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)n1cncn1.

What is the InChIKey of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?

The InChIKey is OQMWHFIDSQKXBK-KBMXLJTQSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(23-12-19-11-20-23)17(24)22(3)10-15-6-8-21(2)16(15)14-5-4-7-18-9-14/h4-5,7,9,11-13,15-16H,6,8,10H2,1-3H3/t13-,15+,16+/m1/s1.

What are the key properties of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?

(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 129335114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).