azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate

C95H117N17O16 — CID 158451413

About azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate

azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate (PubChem CID 158451413) has the molecular formula C95H117N17O16 and a molecular weight of 1753.08 g/mol. Its IUPAC name is azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate
• PubChem CID: 158451413
• Molecular Formula: C95H117N17O16
• Molecular Weight: 1753.08 g/mol
• Exact Mass: 1751.89
• IUPAC Name: azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate
• SMILES: Cc1ccc(C(=O)O)nc1.Cc1ccc(C(=O)OC2CNC2)nc1.Cc1ccc(C(=O)OCC2CNC2)cn1.Cc1ccc(C(=O)OCC2CNC2)nc1.Cc1ccc(C(=O)O[C@@H]2CCNC2)cn1.Cc1ccc(C(=O)O[C@@H]2CCNC2)nc1.Cc1ccc(C(=O)O[C@H]2CCNC2)cn1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C(=O)O[C@H]2CCNC2)c1
• InChI: InChI=1S/6C11H14N2O2.C10H12N2O2.C7H7NO2.2C6H7N/c1-8-4-9(6-13-5-8)11(14)15-10-2-3-12-7-10;1-8-2-3-10(6-13-8)11(14)15-7-9-4-12-5-9;1-8-2-3-10(13-4-8)11(14)15-7-9-5-12-6-9;2*1-8-2-3-9(6-13-8)11(14)15-10-4-5-12-7-10;1-8-2-3-10(13-6-8)11(14)15-9-4-5-12-7-9;1-7-2-3-9(12-4-7)10(13)14-8-5-11-6-8;1-5-2-3-6(7(9)10)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h4-6,10,12H,2-3,7H2,1H3;2-3,6,9,12H,4-5,7H2,1H3;2-4,9,12H,5-7H2,1H3;2*2-3,6,10,12H,4-5,7H2,1H3;2-3,6,9,12H,4-5,7H2,1H3;2-4,8,11H,5-6H2,1H3;2-4H,1H3,(H,9,10);2*2-5H,1H3/t10-;;;2*10-;9-;;;;/m0..101..../s1
• InChIKey: HEAPILIMTDCHKI-IFSGKURUSA-N
• XLogP: 9.55
• TPSA: 434.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1753.08
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate?

The IUPAC name of azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate (CID 158451413) is azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate.

What is the SMILES notation for azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate?

The canonical SMILES for azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)O)nc1.Cc1ccc(C(=O)OC2CNC2)nc1.Cc1ccc(C(=O)OCC2CNC2)cn1.Cc1ccc(C(=O)OCC2CNC2)nc1.Cc1ccc(C(=O)O[C@@H]2CCNC2)cn1.Cc1ccc(C(=O)O[C@@H]2CCNC2)nc1.Cc1ccc(C(=O)O[C@H]2CCNC2)cn1.Cc1cccnc1.Cc1ccncc1.Cc1cncc(C(=O)O[C@H]2CCNC2)c1.

What is the InChIKey of azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate?

The InChIKey is HEAPILIMTDCHKI-IFSGKURUSA-N. The full InChI is InChI=1S/6C11H14N2O2.C10H12N2O2.C7H7NO2.2C6H7N/c1-8-4-9(6-13-5-8)11(14)15-10-2-3-12-7-10;1-8-2-3-10(6-13-8)11(14)15-7-9-4-12-5-9;1-8-2-3-10(13-4-8)11(14)15-7-9-5-12-6-9;2*1-8-2-3-9(6-13-8)11(14)15-10-4-5-12-7-10;1-8-2-3-10(13-6-8)11(14)15-9-4-5-12-7-9;1-7-2-3-9(12-4-7)10(13)14-8-5-11-6-8;1-5-2-3-6(7(9)10)8-4-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h4-6,10,12H,2-3,7H2,1H3;2-3,6,9,12H,4-5,7H2,1H3;2-4,9,12H,5-7H2,1H3;2*2-3,6,10,12H,4-5,7H2,1H3;2-3,6,9,12H,4-5,7H2,1H3;2-4,8,11H,5-6H2,1H3;2-4H,1H3,(H,9,10);2*2-5H,1H3/t10-;;;2*10-;9-;;;;/m0..101..../s1.

What are the key properties of azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate?

azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate has a molecular weight of 1753.08 g/mol, XLogP of 9.55, 17 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-3-ylmethyl 5-methylpyridine-2-carboxylate;azetidin-3-ylmethyl 6-methylpyridine-3-carboxylate;azetidin-3-yl 5-methylpyridine-2-carboxylate;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carboxylic acid;[(3R)-pyrrolidin-3-yl] 5-methylpyridine-2-carboxylate;[(3S)-pyrrolidin-3-yl] 5-methylpyridine-3-carboxylate;[(3R)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate;[(3S)-pyrrolidin-3-yl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 158451413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).