N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide

C20H20N4O2 — CID 109290725

IUPACN-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-9-17(14(2)10-13)24-20(25)18-11-22-19(12-21-18)23-15-5-7-16(26-3)8-6-15/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyJBHWNKXLWNXVIO-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide

N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109290725) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109290725
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-9-17(14(2)10-13)24-20(25)18-11-22-19(12-21-18)23-15-5-7-16(26-3)8-6-15/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyJBHWNKXLWNXVIO-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291932
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide (CID 109290725) is N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)Nc3ccc(C)cc3C)cn2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is JBHWNKXLWNXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-9-17(14(2)10-13)24-20(25)18-11-22-19(12-21-18)23-15-5-7-16(26-3)8-6-15/h4-12H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide?
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).