(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide

C24H32N8O3 — CID 139580563

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide (PubChem CID 139580563) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide
• PubChem CID: 139580563
• Molecular Formula: C24H32N8O3
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.26
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide
• SMILES: CCC(NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ncncn1)C1CCCCC1
• InChI: InChI=1S/C24H32N8O3/c1-3-18(16-7-5-4-6-8-16)30-24(35)32-20(22(34)31(2)23-28-13-26-14-29-23)17(21(32)33)11-15-9-10-27-19(25)12-15/h9-10,12-14,16-18,20H,3-8,11H2,1-2H3,(H2,25,27)(H,30,35)/t17-,18?,20+/m1/s1
• InChIKey: OYNMORAOBAOMGA-IKCNDWCXSA-N
• XLogP: 1.95
• TPSA: 147.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide (CID 139580563) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide is CCC(NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ncncn1)C1CCCCC1.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide?

The InChIKey is OYNMORAOBAOMGA-IKCNDWCXSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-3-18(16-7-5-4-6-8-16)30-24(35)32-20(22(34)31(2)23-28-13-26-14-29-23)17(21(32)33)11-15-9-10-27-19(25)12-15/h9-10,12-14,16-18,20H,3-8,11H2,1-2H3,(H2,25,27)(H,30,35)/t17-,18?,20+/m1/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide has a molecular weight of 480.57 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-(1-cyclohexylpropyl)-2-N-methyl-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide is sourced from PubChem (CID 139580563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).