N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide

C22H23N3O5 — CID 22425056

IUPACN-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nccn(-c3cc(C)cc(C)c3)c2=O)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-13-8-14(2)10-16(9-13)25-7-6-23-20(22(25)27)24-21(26)15-11-17(28-3)19(30-5)18(12-15)29-4/h6-12H,1-5H3,(H,23,24,26)
InChIKeyQHWJQKUUMGQQCU-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.13
Rot. Bonds6

About N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide

N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 22425056) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID22425056
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nccn(-c3cc(C)cc(C)c3)c2=O)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-13-8-14(2)10-16(9-13)25-7-6-23-20(22(25)27)24-21(26)15-11-17(28-3)19(30-5)18(12-15)29-4/h6-12H,1-5H3,(H,23,24,26)
InChIKeyQHWJQKUUMGQQCU-UHFFFAOYSA-N
XLogP3.13
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 35180458
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 4246879

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide (CID 22425056) is N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nccn(-c3cc(C)cc(C)c3)c2=O)cc(OC)c1OC.
What is the InChIKey of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is QHWJQKUUMGQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-8-14(2)10-16(9-13)25-7-6-23-20(22(25)27)24-21(26)15-11-17(28-3)19(30-5)18(12-15)29-4/h6-12H,1-5H3,(H,23,24,26).
What are the key properties of N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide?
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 409.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 22425056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).