N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide

C29H29N7O3 — CID 90281719

IUPACN,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide
SMILESCc1c(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N(C)C)cc3)n2)cccc1N1CCN(c2ccncc2)C1=O
InChIInChI=1S/C29H29N7O3/c1-19-23(6-5-7-25(19)36-17-16-35(29(36)39)22-12-14-30-15-13-22)24-18-34(4)28(38)26(32-24)31-21-10-8-20(9-11-21)27(37)33(2)3/h5-15,18H,16-17H2,1-4H3,(H,31,32)
InChIKeyGUYKDEQKYANPOR-UHFFFAOYSA-N
MW523.60 g/mol
LogP4.04
Rot. Bonds6

About N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide

N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide (PubChem CID 90281719) has the molecular formula C29H29N7O3 and a molecular weight of 523.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide
PubChem CID90281719
Molecular FormulaC29H29N7O3
Molecular Weight523.60 g/mol
Exact Mass523.23
IUPAC NameN,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide
SMILESCc1c(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N(C)C)cc3)n2)cccc1N1CCN(c2ccncc2)C1=O
InChIInChI=1S/C29H29N7O3/c1-19-23(6-5-7-25(19)36-17-16-35(29(36)39)22-12-14-30-15-13-22)24-18-34(4)28(38)26(32-24)31-21-10-8-20(9-11-21)27(37)33(2)3/h5-15,18H,16-17H2,1-4H3,(H,31,32)
InChIKeyGUYKDEQKYANPOR-UHFFFAOYSA-N
XLogP4.04
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-anilino-5-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylphenyl]-1-methylpyrazin-2-one
CID 90281409
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383
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
N-tert-butyl-N-[3-[6-(4-hydroxyanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 68875518
4-tert-butyl-N-[3-[6-[4-[2-hydroxyethyl(methyl)carbamoyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 24857324
N-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-5-oxo-6-[4-(1-oxo-1,4-thiazinan-4-yl)anilino]pyrazin-2-yl]phenyl]benzamide
CID 69368677
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
N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide
CID 134812703
4-tert-butyl-N-[3-[6-[4-(4-ethylpiperazin-1-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 66895894
N-[3-[6-[4-(4-aminopiperidin-1-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 58729094
4-[[6-[3-[(6-tert-butylpyridine-3-carbonyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]benzoic acid
CID 66895560
3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
CID 68605505

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide (CID 90281719) is N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide is Cc1c(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N(C)C)cc3)n2)cccc1N1CCN(c2ccncc2)C1=O.
What is the InChIKey of N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide?
The InChIKey is GUYKDEQKYANPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3/c1-19-23(6-5-7-25(19)36-17-16-35(29(36)39)22-12-14-30-15-13-22)24-18-34(4)28(38)26(32-24)31-21-10-8-20(9-11-21)27(37)33(2)3/h5-15,18H,16-17H2,1-4H3,(H,31,32).
What are the key properties of N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide?
N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide has a molecular weight of 523.60 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-methyl-6-[2-methyl-3-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)phenyl]-3-oxopyrazin-2-yl]amino]benzamide is sourced from PubChem (CID 90281719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).