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

C34H38N6O4 — CID 58729055

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

N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide (PubChem CID 58729055) has the molecular formula C34H38N6O4 and a molecular weight of 594.72 g/mol. Its IUPAC name is N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide.

Molecular Properties

• Compound Name: N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide
• PubChem CID: 58729055
• Molecular Formula: C34H38N6O4
• Molecular Weight: 594.72 g/mol
• Exact Mass: 594.30
• IUPAC Name: N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide
• SMILES: Cc1c(NC(=O)c2ccc(N(C)C(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
• InChI: InChI=1S/C34H38N6O4/c1-22(2)39(5)27-15-11-24(12-16-27)32(41)37-29-8-6-7-28(23(29)3)30-21-38(4)34(43)31(36-30)35-26-13-9-25(10-14-26)33(42)40-17-19-44-20-18-40/h6-16,21-22H,17-20H2,1-5H3,(H,35,36)(H,37,41)
• InChIKey: TZTKZNFFTWPCMG-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.72
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide?

The IUPAC name of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide (CID 58729055) is N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide.

What is the SMILES notation for N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide?

The canonical SMILES for N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide is Cc1c(NC(=O)c2ccc(N(C)C(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.

What is the InChIKey of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide?

The InChIKey is TZTKZNFFTWPCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O4/c1-22(2)39(5)27-15-11-24(12-16-27)32(41)37-29-8-6-7-28(23(29)3)30-21-38(4)34(43)31(36-30)35-26-13-9-25(10-14-26)33(42)40-17-19-44-20-18-40/h6-16,21-22H,17-20H2,1-5H3,(H,35,36)(H,37,41).

What are the key properties of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide?

N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide has a molecular weight of 594.72 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 58729055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).