3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide

C23H26N6O3 — CID 68605505

IUPAC3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CCOCC3)c(N)c2)n1
InChIInChI=1S/C23H26N6O3/c1-14-16(4-3-5-17(14)21(25)30)19-13-28(2)23(31)22(27-19)26-15-6-7-20(18(24)12-15)29-8-10-32-11-9-29/h3-7,12-13H,8-11,24H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeyYHWYAUYROUQSFA-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.02
Rot. Bonds5

About 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide

3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide (PubChem CID 68605505) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
PubChem CID68605505
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CCOCC3)c(N)c2)n1
InChIInChI=1S/C23H26N6O3/c1-14-16(4-3-5-17(14)21(25)30)19-13-28(2)23(31)22(27-19)26-15-6-7-20(18(24)12-15)29-8-10-32-11-9-29/h3-7,12-13H,8-11,24H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeyYHWYAUYROUQSFA-UHFFFAOYSA-N
XLogP2.02
TPSA128.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-piperidin-1-ylbenzamide
CID 58729004
N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide
CID 58728943
1-[2-amino-4-[[6-(2,3-dimethylphenyl)-4-methyl-3-oxopyrazin-2-yl]amino]phenyl]piperidine-4-carboxamide
CID 143646223
3-[6-[3-amino-4-(3-hydroxypyrrolidine-1-carbonyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
CID 68604445
3-[3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293167
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383
3-[3-amino-4-(3-hydroxypyrrolidin-1-yl)anilino]-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 143293259
5-(3-amino-2-fluorophenyl)-3-[3-amino-4-(morpholine-4-carbonyl)anilino]-1-methylpyrazin-2-one
CID 68607099
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
CID 68874747
3-(3-aminoanilino)-5-(3-amino-2-methylphenyl)-1-methylpyrazin-2-one
CID 68605567
2-amino-4-[[6-[3-[1-(4-tert-butylphenyl)ethenylamino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]benzamide
CID 143293267
N-[3-[6-[3-amino-4-(3-hydroxypyrrolidin-1-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 58728914

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide?
The IUPAC name of 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide (CID 68605505) is 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide.
What is the SMILES notation for 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide?
The canonical SMILES for 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide is Cc1c(C(N)=O)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CCOCC3)c(N)c2)n1.
What is the InChIKey of 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide?
The InChIKey is YHWYAUYROUQSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14-16(4-3-5-17(14)21(25)30)19-13-28(2)23(31)22(27-19)26-15-6-7-20(18(24)12-15)29-8-10-32-11-9-29/h3-7,12-13H,8-11,24H2,1-2H3,(H2,25,30)(H,26,27).
What are the key properties of 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide?
3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide has a molecular weight of 434.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide is sourced from PubChem (CID 68605505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).