4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

C36H44N6O6 — CID 153331952

IUPAC4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCOCCNCc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CNCCOC)cn4)c3C)c2C)cc1OC
InChIInChI=1S/C36H44N6O6/c1-23-27(9-7-11-29(23)41-35(43)31-17-33(47-5)25(21-39-31)19-37-13-15-45-3)28-10-8-12-30(24(28)2)42-36(44)32-18-34(48-6)26(22-40-32)20-38-14-16-46-4/h7-12,17-18,21-22,37-38H,13-16,19-20H2,1-6H3,(H,41,43)(H,42,44)
InChIKeyYQKQCUHTLILFJM-UHFFFAOYSA-N
MW656.78 g/mol
LogP4.75
Rot. Bonds17

About 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 153331952) has the molecular formula C36H44N6O6 and a molecular weight of 656.78 g/mol. Its IUPAC name is 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
PubChem CID153331952
Molecular FormulaC36H44N6O6
Molecular Weight656.78 g/mol
Exact Mass656.33
IUPAC Name4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCOCCNCc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CNCCOC)cn4)c3C)c2C)cc1OC
InChIInChI=1S/C36H44N6O6/c1-23-27(9-7-11-29(23)41-35(43)31-17-33(47-5)25(21-39-31)19-37-13-15-45-3)28-10-8-12-30(24(28)2)42-36(44)32-18-34(48-6)26(22-40-32)20-38-14-16-46-4/h7-12,17-18,21-22,37-38H,13-16,19-20H2,1-6H3,(H,41,43)(H,42,44)
InChIKeyYQKQCUHTLILFJM-UHFFFAOYSA-N
XLogP4.75
TPSA144.96 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.78
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
CID 171489497
4-methoxy-N-[3-[3-[2-[4-methoxy-5-[(2-methylsulfonylethylamino)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(4-methylsulfonylbutyl)pyridine-2-carboxamide
CID 159120948
5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-N-[3-[3-[[5-[[[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
CID 155385006
ethane;4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
CID 171489496
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960
5-bromo-4-methoxy-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 155393492
4-(cyclopropylmethoxy)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240421
4-chloro-N-[3-[3-[(Z)-2-fluoro-2-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]ethenyl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 146301212
N-[2-chloro-3-[3-[[5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 165147565
N-[2-chloro-3-[3-[[5-[(2-fluoroethylamino)methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575161
4-chloro-N-[3-[3-[(Z)-2-fluoro-2-[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenyl]ethenyl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 146301203
4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide
CID 167185780

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (CID 153331952) is 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is COCCNCc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CNCCOC)cn4)c3C)c2C)cc1OC.
What is the InChIKey of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is YQKQCUHTLILFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O6/c1-23-27(9-7-11-29(23)41-35(43)31-17-33(47-5)25(21-39-31)19-37-13-15-45-3)28-10-8-12-30(24(28)2)42-36(44)32-18-34(48-6)26(22-40-32)20-38-14-16-46-4/h7-12,17-18,21-22,37-38H,13-16,19-20H2,1-6H3,(H,41,43)(H,42,44).
What are the key properties of 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 656.78 g/mol, XLogP of 4.75, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 153331952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).