methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate

C41H47N7O8 — CID 155694342

IUPACmethoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC.COC(=O)c1cccc(CN(Cc2cccc(C)n2)Cc2cccc(CN(Cc3cccc(C=O)n3)Cc3cccc(C(=O)OC)n3)n2)n1.COC=O
InChIInChI=1S/C37H37N7O5.C2H4O2.C2H6O/c1-26-9-4-10-27(38-26)19-43(23-31-14-7-17-34(41-31)36(46)48-2)20-28-11-5-12-29(39-28)21-44(22-30-13-6-16-33(25-45)40-30)24-32-15-8-18-35(42-32)37(47)49-3;1-4-2-3;1-3-2/h4-18,25H,19-24H2,1-3H3;2H,1H3;1-2H3
InChIKeyZVMWHKRGADUIPC-UHFFFAOYSA-N
MW765.87 g/mol
LogP4.81
Rot. Bonds16

About methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate

methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 155694342) has the molecular formula C41H47N7O8 and a molecular weight of 765.87 g/mol. Its IUPAC name is methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
PubChem CID155694342
Molecular FormulaC41H47N7O8
Molecular Weight765.87 g/mol
Exact Mass765.35
IUPAC Namemethoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC.COC(=O)c1cccc(CN(Cc2cccc(C)n2)Cc2cccc(CN(Cc3cccc(C=O)n3)Cc3cccc(C(=O)OC)n3)n2)n1.COC=O
InChIInChI=1S/C37H37N7O5.C2H4O2.C2H6O/c1-26-9-4-10-27(38-26)19-43(23-31-14-7-17-34(41-31)36(46)48-2)20-28-11-5-12-29(39-28)21-44(22-30-13-6-16-33(25-45)40-30)24-32-15-8-18-35(42-32)37(47)49-3;1-4-2-3;1-3-2/h4-18,25H,19-24H2,1-3H3;2H,1H3;1-2H3
InChIKeyZVMWHKRGADUIPC-UHFFFAOYSA-N
XLogP4.81
TPSA176.13 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-fluoro-6-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
CID 178006756
Methyl 4-fluoro-6-[[2-hydroxyethyl-[2-[2-[2-[2-hydroxyethyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]amino]methyl]pyridine-2-carboxylate
CID 178006767
Ethyl 6-[6-[[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine-2-carboxylate
CID 11606672
6,14-Dimethyl-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 85684969
Methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
CID 101540317
Propyl 6-[[6-[(6-propoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
CID 101540318
Ethyl {6-[6-(ethoxycarbonyl)picolinamidocarbonyl]picolinamidocarbonyl}picolinate
CID 102393255
Ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
CID 102393256
Bis(methyl 6-[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]hexylcarbamoyl]pyridine-2-carboxylate);tetrahydrate
CID 168339596
Bis(6-[[(6-carboxy-2-pyridinyl)methylazaniumyl]methyl]pyridine-2-carboxylate);dihydrate
CID 168344744
Ruthenium 2,2'-bipyridine-6,6'-dicarboxylate
CID 170984222
Tert-butyl 3-[2-methyl-6-[6-[[6-[6-[[6-[6-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]-4-pyridinyl]propanoate
CID 15163216

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate (CID 155694342) is methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate is COC.COC(=O)c1cccc(CN(Cc2cccc(C)n2)Cc2cccc(CN(Cc3cccc(C=O)n3)Cc3cccc(C(=O)OC)n3)n2)n1.COC=O.
What is the InChIKey of methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is ZVMWHKRGADUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N7O5.C2H4O2.C2H6O/c1-26-9-4-10-27(38-26)19-43(23-31-14-7-17-34(41-31)36(46)48-2)20-28-11-5-12-29(39-28)21-44(22-30-13-6-16-33(25-45)40-30)24-32-15-8-18-35(42-32)37(47)49-3;1-4-2-3;1-3-2/h4-18,25H,19-24H2,1-3H3;2H,1H3;1-2H3.
What are the key properties of methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate?
methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 765.87 g/mol, XLogP of 4.81, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl formate;methyl 6-[[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155694342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).