6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol

C18H24N4O — CID 128968917

About 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol

6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol (PubChem CID 128968917) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol.

Molecular Properties

• Compound Name: 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
• PubChem CID: 128968917
• Molecular Formula: C18H24N4O
• Molecular Weight: 312.42 g/mol
• Exact Mass: 312.20
• IUPAC Name: 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
• SMILES: Cc1ccc(O)c(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1
• InChI: InChI=1S/C18H24N4O/c1-13-5-6-17(23)16(21-13)12-20-11-15-7-9-22(2)18(15)14-4-3-8-19-10-14/h3-6,8,10,15,18,20,23H,7,9,11-12H2,1-2H3/t15-,18-/m0/s1
• InChIKey: PNSWETLCBPWCGM-YJBOKZPZSA-N
• XLogP: 2.27
• TPSA: 61.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.42
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?

The IUPAC name of 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol (CID 128968917) is 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol.

What is the SMILES notation for 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?

The canonical SMILES for 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1.

What is the InChIKey of 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?

The InChIKey is PNSWETLCBPWCGM-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-5-6-17(23)16(21-13)12-20-11-15-7-9-22(2)18(15)14-4-3-8-19-10-14/h3-6,8,10,15,18,20,23H,7,9,11-12H2,1-2H3/t15-,18-/m0/s1.

What are the key properties of 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol?

6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol has a molecular weight of 312.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 128968917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).