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

C38H44N6O6 — CID 153331961

IUPAC4-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
SMILESCOc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1
InChIInChI=1S/C38H44N6O6/c1-25-29(7-5-9-31(25)41-37(45)33-19-35(47-3)27(21-39-33)23-43-11-15-49-16-12-43)30-8-6-10-32(26(30)2)42-38(46)34-20-36(48-4)28(22-40-34)24-44-13-17-50-18-14-44/h5-10,19-22H,11-18,23-24H2,1-4H3,(H,41,45)(H,42,46)
InChIKeyBAYZTRDANOUTTQ-UHFFFAOYSA-N
MW680.81 g/mol
LogP4.95
Rot. Bonds11

About 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

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 (PubChem CID 153331961) has the molecular formula C38H44N6O6 and a molecular weight of 680.81 g/mol. Its IUPAC name is 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 Properties

Compound Name4-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
PubChem CID153331961
Molecular FormulaC38H44N6O6
Molecular Weight680.81 g/mol
Exact Mass680.33
IUPAC Name4-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
SMILESCOc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1
InChIInChI=1S/C38H44N6O6/c1-25-29(7-5-9-31(25)41-37(45)33-19-35(47-3)27(21-39-33)23-43-11-15-49-16-12-43)30-8-6-10-32(26(30)2)42-38(46)34-20-36(48-4)28(22-40-34)24-44-13-17-50-18-14-44/h5-10,19-22H,11-18,23-24H2,1-4H3,(H,41,45)(H,42,46)
InChIKeyBAYZTRDANOUTTQ-UHFFFAOYSA-N
XLogP4.95
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.81
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 153331961) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is BAYZTRDANOUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N6O6/c1-25-29(7-5-9-31(25)41-37(45)33-19-35(47-3)27(21-39-33)23-43-11-15-49-16-12-43)30-8-6-10-32(26(30)2)42-38(46)34-20-36(48-4)28(22-40-34)24-44-13-17-50-18-14-44/h5-10,19-22H,11-18,23-24H2,1-4H3,(H,41,45)(H,42,46).
What are the key properties of 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?
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 has a molecular weight of 680.81 g/mol, XLogP of 4.95, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153331961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).