4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline

C24H21N3O — CID 59866268

IUPAC4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline
SMILESCOc1nc(C)cnc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-17-25-23(24(26-18)28-2)19-13-15-22(16-14-19)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyWEDZQBRZRIKAQE-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.93
Rot. Bonds5

About 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline

4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline (PubChem CID 59866268) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline
PubChem CID59866268
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline
SMILESCOc1nc(C)cnc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-17-25-23(24(26-18)28-2)19-13-15-22(16-14-19)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3
InChIKeyWEDZQBRZRIKAQE-UHFFFAOYSA-N
XLogP5.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
CID 67283736
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline (CID 59866268) is 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline is COc1nc(C)cnc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline?
The InChIKey is WEDZQBRZRIKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-17-25-23(24(26-18)28-2)19-13-15-22(16-14-19)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1-2H3.
What are the key properties of 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline?
4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline has a molecular weight of 367.45 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-5-methylpyrazin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 59866268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).