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

C38H48N6O6 — CID 155384988

IUPAC4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCOCCN(C)Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN(C)CCOC)cn4)c3C)c2C)cc1OC
InChIInChI=1S/C38H48N6O6/c1-25-29(11-9-13-31(25)41-37(45)33-19-35(49-7)27(21-39-33)23-43(3)15-17-47-5)30-12-10-14-32(26(30)2)42-38(46)34-20-36(50-8)28(22-40-34)24-44(4)16-18-48-6/h9-14,19-22H,15-18,23-24H2,1-8H3,(H,41,45)(H,42,46)
InChIKeyQTMHYPQOBGGOQW-UHFFFAOYSA-N
MW684.84 g/mol
LogP5.44
Rot. Bonds17

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

4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 155384988) has the molecular formula C38H48N6O6 and a molecular weight of 684.84 g/mol. Its IUPAC name is 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
PubChem CID155384988
Molecular FormulaC38H48N6O6
Molecular Weight684.84 g/mol
Exact Mass684.36
IUPAC Name4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILESCOCCN(C)Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN(C)CCOC)cn4)c3C)c2C)cc1OC
InChIInChI=1S/C38H48N6O6/c1-25-29(11-9-13-31(25)41-37(45)33-19-35(49-7)27(21-39-33)23-43(3)15-17-47-5)30-12-10-14-32(26(30)2)42-38(46)34-20-36(50-8)28(22-40-34)24-44(4)16-18-48-6/h9-14,19-22H,15-18,23-24H2,1-8H3,(H,41,45)(H,42,46)
InChIKeyQTMHYPQOBGGOQW-UHFFFAOYSA-N
XLogP5.44
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (CID 155384988) is 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is COCCN(C)Cc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN(C)CCOC)cn4)c3C)c2C)cc1OC.
What is the InChIKey of 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is QTMHYPQOBGGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O6/c1-25-29(11-9-13-31(25)41-37(45)33-19-35(49-7)27(21-39-33)23-43(3)15-17-47-5)30-12-10-14-32(26(30)2)42-38(46)34-20-36(50-8)28(22-40-34)24-44(4)16-18-48-6/h9-14,19-22H,15-18,23-24H2,1-8H3,(H,41,45)(H,42,46).
What are the key properties of 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?
4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 684.84 g/mol, XLogP of 5.44, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]-N-[3-[3-[[4-methoxy-5-[[2-methoxyethyl(methyl)amino]methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 155384988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).