methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide

C84H136IN17O10 — CID 158227972

About methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide

methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide (PubChem CID 158227972) has the molecular formula C84H136IN17O10 and a molecular weight of 1671.02 g/mol. Its IUPAC name is methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide.

Molecular Properties

• Compound Name: methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide
• PubChem CID: 158227972
• Molecular Formula: C84H136IN17O10
• Molecular Weight: 1671.02 g/mol
• Exact Mass: 1669.97
• IUPAC Name: methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide
• SMILES: CCc1cc(CN2CCN(CC)CCN(Cc3cc(CC)cc(C(=O)OC)n3)CCN(CC)CC2)nc(C(=O)OC)c1.CCc1cc(CN2CCN(CC)CCNCCN(CC)CC2)nc(C(=O)OC)c1.CCc1cc(CN2CCNCCN(Cc3cc(CC)cc(C(=O)OC)n3)CCN(CC)CC2)nc(C(=O)OC)c1.I
• InChI: InChI=1S/C32H50N6O4.C30H46N6O4.C22H39N5O2.HI/c1-7-25-19-27(33-29(21-25)31(39)41-5)23-37-15-11-35(9-3)13-17-38(18-14-36(10-4)12-16-37)24-28-20-26(8-2)22-30(34-28)32(40)42-6;1-6-23-17-25(32-27(19-23)29(37)39-4)21-35-11-9-31-10-12-36(16-14-34(8-3)13-15-35)22-26-18-24(7-2)20-28(33-26)30(38)40-5;1-5-19-16-20(24-21(17-19)22(28)29-4)18-27-14-12-25(6-2)10-8-23-9-11-26(7-3)13-15-27;/h19-22H,7-18,23-24H2,1-6H3;17-20,31H,6-16,21-22H2,1-5H3;16-17,23H,5-15,18H2,1-4H3;1H
• InChIKey: DOSLWVSXBWHKCQ-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 252.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.02
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide?

The IUPAC name of methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide (CID 158227972) is methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide.

What is the SMILES notation for methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide?

The canonical SMILES for methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide is CCc1cc(CN2CCN(CC)CCN(Cc3cc(CC)cc(C(=O)OC)n3)CCN(CC)CC2)nc(C(=O)OC)c1.CCc1cc(CN2CCN(CC)CCNCCN(CC)CC2)nc(C(=O)OC)c1.CCc1cc(CN2CCNCCN(Cc3cc(CC)cc(C(=O)OC)n3)CCN(CC)CC2)nc(C(=O)OC)c1.I.

What is the InChIKey of methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide?

The InChIKey is DOSLWVSXBWHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N6O4.C30H46N6O4.C22H39N5O2.HI/c1-7-25-19-27(33-29(21-25)31(39)41-5)23-37-15-11-35(9-3)13-17-38(18-14-36(10-4)12-16-37)24-28-20-26(8-2)22-30(34-28)32(40)42-6;1-6-23-17-25(32-27(19-23)29(37)39-4)21-35-11-9-31-10-12-36(16-14-34(8-3)13-15-35)22-26-18-24(7-2)20-28(33-26)30(38)40-5;1-5-19-16-20(24-21(17-19)22(28)29-4)18-27-14-12-25(6-2)10-8-23-9-11-26(7-3)13-15-27;/h19-22H,7-18,23-24H2,1-6H3;17-20,31H,6-16,21-22H2,1-5H3;16-17,23H,5-15,18H2,1-4H3;1H.

What are the key properties of methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide?

methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide has a molecular weight of 1671.02 g/mol, XLogP of 7.64, 25 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[[4,10-diethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]-4-ethylpyridine-2-carboxylate;methyl 6-[(4,10-diethyl-1,4,7,10-tetrazacyclododec-1-yl)methyl]-4-ethylpyridine-2-carboxylate;methyl 4-ethyl-6-[[4-ethyl-7-[(4-ethyl-6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]pyridine-2-carboxylate;hydroiodide is sourced from PubChem (CID 158227972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).