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

C32H34N6O4 — CID 11851680

IUPAC4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C32H34N6O4/c1-21-26(6-5-7-27(21)35-30(39)22-10-14-25(15-11-22)36(2)3)28-20-37(4)32(41)29(34-28)33-24-12-8-23(9-13-24)31(40)38-16-18-42-19-17-38/h5-15,20H,16-19H2,1-4H3,(H,33,34)(H,35,39)
InChIKeyLIENQOIGGNHRMH-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.29
Rot. Bonds7

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

4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (PubChem CID 11851680) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
PubChem CID11851680
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC Name4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C32H34N6O4/c1-21-26(6-5-7-27(21)35-30(39)22-10-14-25(15-11-22)36(2)3)28-20-37(4)32(41)29(34-28)33-24-12-8-23(9-13-24)31(40)38-16-18-42-19-17-38/h5-15,20H,16-19H2,1-4H3,(H,33,34)(H,35,39)
InChIKeyLIENQOIGGNHRMH-UHFFFAOYSA-N
XLogP4.29
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (CID 11851680) is 4-(dimethylamino)-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-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The InChIKey is LIENQOIGGNHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-21-26(6-5-7-27(21)35-30(39)22-10-14-25(15-11-22)36(2)3)28-20-37(4)32(41)29(34-28)33-24-12-8-23(9-13-24)31(40)38-16-18-42-19-17-38/h5-15,20H,16-19H2,1-4H3,(H,33,34)(H,35,39).
What are the key properties of 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide has a molecular weight of 566.66 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is sourced from PubChem (CID 11851680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).