5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

C23H25N5O3 — CID 46942383

IUPAC5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H25N5O3/c1-15-18(4-3-5-19(15)24)20-14-27(2)23(30)21(26-20)25-17-8-6-16(7-9-17)22(29)28-10-12-31-13-11-28/h3-9,14H,10-13,24H2,1-2H3,(H,25,26)
InChIKeyRMDUORKHLQPITP-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.55
Rot. Bonds4

About 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (PubChem CID 46942383) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.

Molecular Properties

Compound Name5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
PubChem CID46942383
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C23H25N5O3/c1-15-18(4-3-5-19(15)24)20-14-27(2)23(30)21(26-20)25-17-8-6-16(7-9-17)22(29)28-10-12-31-13-11-28/h3-9,14H,10-13,24H2,1-2H3,(H,25,26)
InChIKeyRMDUORKHLQPITP-UHFFFAOYSA-N
XLogP2.55
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
CID 68874747
4-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 11851477
4-(azepan-1-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895717
1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 90281170
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,4-oxazepane-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895059
6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
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
N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 118728348
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-N-propan-2-ylbenzamide
CID 171457687
5-(3-amino-2-fluorophenyl)-3-[3-amino-4-(morpholine-4-carbonyl)anilino]-1-methylpyrazin-2-one
CID 68607099
4-tert-butyl-2-[[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]anilino]methyl]benzoic acid
CID 66610147
ethyl 4-tert-butyl-2-[[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]anilino]methyl]benzoate
CID 66610366

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The IUPAC name of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (CID 46942383) is 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.
What is the SMILES notation for 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The canonical SMILES for 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The InChIKey is RMDUORKHLQPITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-18(4-3-5-19(15)24)20-14-27(2)23(30)21(26-20)25-17-8-6-16(7-9-17)22(29)28-10-12-31-13-11-28/h3-9,14H,10-13,24H2,1-2H3,(H,25,26).
What are the key properties of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one has a molecular weight of 419.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is sourced from PubChem (CID 46942383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).