4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide

C31H31N5O4 — CID 118728341

IUPAC4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)cc1
InChIInChI=1S/C31H31N5O4/c1-20-7-9-22(10-8-20)29(37)34-26-6-4-5-25(21(26)2)27-19-35(3)31(39)28(33-27)32-24-13-11-23(12-14-24)30(38)36-15-17-40-18-16-36/h4-14,19H,15-18H2,1-3H3,(H,32,33)(H,34,37)
InChIKeyHTKNUBQMFOLYMW-UHFFFAOYSA-N
MW537.62 g/mol
LogP4.53
Rot. Bonds6

About 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide

4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (PubChem CID 118728341) has the molecular formula C31H31N5O4 and a molecular weight of 537.62 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
PubChem CID118728341
Molecular FormulaC31H31N5O4
Molecular Weight537.62 g/mol
Exact Mass537.24
IUPAC Name4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)cc1
InChIInChI=1S/C31H31N5O4/c1-20-7-9-22(10-8-20)29(37)34-26-6-4-5-25(21(26)2)27-19-35(3)31(39)28(33-27)32-24-13-11-23(12-14-24)30(38)36-15-17-40-18-16-36/h4-14,19H,15-18H2,1-3H3,(H,32,33)(H,34,37)
InChIKeyHTKNUBQMFOLYMW-UHFFFAOYSA-N
XLogP4.53
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (CID 118728341) is 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The InChIKey is HTKNUBQMFOLYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O4/c1-20-7-9-22(10-8-20)29(37)34-26-6-4-5-25(21(26)2)27-19-35(3)31(39)28(33-27)32-24-13-11-23(12-14-24)30(38)36-15-17-40-18-16-36/h4-14,19H,15-18H2,1-3H3,(H,32,33)(H,34,37).
What are the key properties of 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide has a molecular weight of 537.62 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is sourced from PubChem (CID 118728341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).