N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate

C23H34N6O2 — CID 157219072

About N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate

N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate (PubChem CID 157219072) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate
• PubChem CID: 157219072
• Molecular Formula: C23H34N6O2
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.27
• IUPAC Name: N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate
• SMILES: Cc1ccnc(NC2CN(C(=O)OC(C)(C)C)C2)c1.Cc1ccnc(NC2CNC2)c1
• InChI: InChI=1S/C14H21N3O2.C9H13N3/c1-10-5-6-15-12(7-10)16-11-8-17(9-11)13(18)19-14(2,3)4;1-7-2-3-11-9(4-7)12-8-5-10-6-8/h5-7,11H,8-9H2,1-4H3,(H,15,16);2-4,8,10H,5-6H2,1H3,(H,11,12)
• InChIKey: ASTOXRNPVQLEEP-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 91.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate?

The IUPAC name of N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate (CID 157219072) is N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate.

What is the SMILES notation for N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate?

The canonical SMILES for N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate is Cc1ccnc(NC2CN(C(=O)OC(C)(C)C)C2)c1.Cc1ccnc(NC2CNC2)c1.

What is the InChIKey of N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate?

The InChIKey is ASTOXRNPVQLEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.C9H13N3/c1-10-5-6-15-12(7-10)16-11-8-17(9-11)13(18)19-14(2,3)4;1-7-2-3-11-9(4-7)12-8-5-10-6-8/h5-7,11H,8-9H2,1-4H3,(H,15,16);2-4,8,10H,5-6H2,1H3,(H,11,12).

What are the key properties of N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate?

N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate has a molecular weight of 426.57 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 157219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).