4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide

C38H44N6O4 — CID 139375270

IUPAC4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1
InChIInChI=1S/C38H44N6O4/c1-25-19-35(39-21-29(25)23-43-11-15-47-16-12-43)37(45)41-33-9-5-7-31(27(33)3)32-8-6-10-34(28(32)4)42-38(46)36-20-26(2)30(22-40-36)24-44-13-17-48-18-14-44/h5-10,19-22H,11-18,23-24H2,1-4H3,(H,41,45)(H,42,46)
InChIKeySGHALDYAGFTNLZ-UHFFFAOYSA-N
MW648.81 g/mol
LogP5.55
Rot. Bonds9

About 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide

4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 139375270) has the molecular formula C38H44N6O4 and a molecular weight of 648.81 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID139375270
Molecular FormulaC38H44N6O4
Molecular Weight648.81 g/mol
Exact Mass648.34
IUPAC Name4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1
InChIInChI=1S/C38H44N6O4/c1-25-19-35(39-21-29(25)23-43-11-15-47-16-12-43)37(45)41-33-9-5-7-31(27(33)3)32-8-6-10-34(28(32)4)42-38(46)36-20-26(2)30(22-40-36)24-44-13-17-48-18-14-44/h5-10,19-22H,11-18,23-24H2,1-4H3,(H,41,45)(H,42,46)
InChIKeySGHALDYAGFTNLZ-UHFFFAOYSA-N
XLogP5.55
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide (CID 139375270) is 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4cc(C)c(CN5CCOCC5)cn4)c3C)c2C)ncc1CN1CCOCC1.
What is the InChIKey of 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SGHALDYAGFTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N6O4/c1-25-19-35(39-21-29(25)23-43-11-15-47-16-12-43)37(45)41-33-9-5-7-31(27(33)3)32-8-6-10-34(28(32)4)42-38(46)36-20-26(2)30(22-40-36)24-44-13-17-48-18-14-44/h5-10,19-22H,11-18,23-24H2,1-4H3,(H,41,45)(H,42,46).
What are the key properties of 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide?
4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 648.81 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-[2-methyl-3-[[4-methyl-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139375270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).