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

C32H36N6O4 — CID 155384974

IUPAC4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide
SMILESCNCc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CNC)cn4)c3C)c2C)cc1OC
InChIInChI=1S/C32H36N6O4/c1-19-23(9-7-11-25(19)37-31(39)27-13-29(41-5)21(15-33-3)17-35-27)24-10-8-12-26(20(24)2)38-32(40)28-14-30(42-6)22(16-34-4)18-36-28/h7-14,17-18,33-34H,15-16H2,1-6H3,(H,37,39)(H,38,40)
InChIKeyOELFOAYYAIUUBK-UHFFFAOYSA-N
MW568.68 g/mol
LogP4.72
Rot. Bonds11

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

4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide (PubChem CID 155384974) has the molecular formula C32H36N6O4 and a molecular weight of 568.68 g/mol. Its IUPAC name is 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide
PubChem CID155384974
Molecular FormulaC32H36N6O4
Molecular Weight568.68 g/mol
Exact Mass568.28
IUPAC Name4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide
SMILESCNCc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CNC)cn4)c3C)c2C)cc1OC
InChIInChI=1S/C32H36N6O4/c1-19-23(9-7-11-25(19)37-31(39)27-13-29(41-5)21(15-33-3)17-35-27)24-10-8-12-26(20(24)2)38-32(40)28-14-30(42-6)22(16-34-4)18-36-28/h7-14,17-18,33-34H,15-16H2,1-6H3,(H,37,39)(H,38,40)
InChIKeyOELFOAYYAIUUBK-UHFFFAOYSA-N
XLogP4.72
TPSA126.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.68
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide (CID 155384974) is 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide is CNCc1cnc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CNC)cn4)c3C)c2C)cc1OC.
What is the InChIKey of 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide?
The InChIKey is OELFOAYYAIUUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O4/c1-19-23(9-7-11-25(19)37-31(39)27-13-29(41-5)21(15-33-3)17-35-27)24-10-8-12-26(20(24)2)38-32(40)28-14-30(42-6)22(16-34-4)18-36-28/h7-14,17-18,33-34H,15-16H2,1-6H3,(H,37,39)(H,38,40).
What are the key properties of 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide?
4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide has a molecular weight of 568.68 g/mol, XLogP of 4.72, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[3-[[4-methoxy-5-(methylaminomethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(methylaminomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155384974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).