methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate

C41H47N7O9 — CID 155694371

IUPACmethoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC.COC.COC(=O)c1cccc(CN(Cc2cccc(C=O)n2)Cc2cc(=O)cc(CN(Cc3cccc(C=O)n3)Cc3cccc(C(=O)OC)n3)[nH]2)n1
InChIInChI=1S/C37H35N7O7.2C2H6O/c1-50-36(48)34-13-5-9-27(41-34)19-43(17-25-7-3-11-29(23-45)38-25)21-31-15-33(47)16-32(40-31)22-44(18-26-8-4-12-30(24-46)39-26)20-28-10-6-14-35(42-28)37(49)51-2;2*1-3-2/h3-16,23-24H,17-22H2,1-2H3,(H,40,47);2*1-2H3
InChIKeyQGQJDAONDDOBLT-UHFFFAOYSA-N
MW781.87 g/mol
LogP4.08
Rot. Bonds16

About methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate

methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 155694371) has the molecular formula C41H47N7O9 and a molecular weight of 781.87 g/mol. Its IUPAC name is methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate
PubChem CID155694371
Molecular FormulaC41H47N7O9
Molecular Weight781.87 g/mol
Exact Mass781.34
IUPAC Namemethoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate
SMILESCOC.COC.COC(=O)c1cccc(CN(Cc2cccc(C=O)n2)Cc2cc(=O)cc(CN(Cc3cccc(C=O)n3)Cc3cccc(C(=O)OC)n3)[nH]2)n1
InChIInChI=1S/C37H35N7O7.2C2H6O/c1-50-36(48)34-13-5-9-27(41-34)19-43(17-25-7-3-11-29(23-45)38-25)21-31-15-33(47)16-32(40-31)22-44(18-26-8-4-12-30(24-46)39-26)20-28-10-6-14-35(42-28)37(49)51-2;2*1-3-2/h3-16,23-24H,17-22H2,1-2H3,(H,40,47);2*1-2H3
InChIKeyQGQJDAONDDOBLT-UHFFFAOYSA-N
XLogP4.08
TPSA196.10 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]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
Ethyl 6-[6-[[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine-2-carboxylate
CID 11606672
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
Propane-1,3-diaminium-pyridine-2,6-dicarboxylate-pyridine-2,6-dicarboxylic acid-water (2/2/2/5)
CID 139069213
Propane-1,3-diaminium-2-carboxypyridine-6-carboxylate-pyridine-2,6-dicarboxylic acid-water (1/2/2/8)
CID 139073931
Calcium;6-[[10-[(6-carboxylato-2-pyridinyl)methyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]methyl]pyridine-2-carboxylate;bis(triethylazanium);diperchlorate
CID 139127418
Methyl 6-[4-[(6-methoxycarbonylpyridine-2-carbonyl)amino]butylcarbamoyl]pyridine-2-carboxylate;hydrate
CID 139199661
Methyl 6-[2-[(6-methoxycarbonylpyridine-2-carbonyl)amino]ethylcarbamoyl]pyridine-2-carboxylate;tetrahydrate
CID 139199665
Bis(methyl 6-[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]hexylcarbamoyl]pyridine-2-carboxylate);tetrahydrate
CID 168339596

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate (CID 155694371) is methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate is COC.COC.COC(=O)c1cccc(CN(Cc2cccc(C=O)n2)Cc2cc(=O)cc(CN(Cc3cccc(C=O)n3)Cc3cccc(C(=O)OC)n3)[nH]2)n1.
What is the InChIKey of methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is QGQJDAONDDOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N7O7.2C2H6O/c1-50-36(48)34-13-5-9-27(41-34)19-43(17-25-7-3-11-29(23-45)38-25)21-31-15-33(47)16-32(40-31)22-44(18-26-8-4-12-30(24-46)39-26)20-28-10-6-14-35(42-28)37(49)51-2;2*1-3-2/h3-16,23-24H,17-22H2,1-2H3,(H,40,47);2*1-2H3.
What are the key properties of methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate?
methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 781.87 g/mol, XLogP of 4.08, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 6-[[(6-formyl-2-pyridinyl)methyl-[[6-[[(6-formyl-2-pyridinyl)methyl-[(6-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]-4-oxo-1H-pyridin-2-yl]methyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155694371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).