5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

C21H22N4O2 — CID 109282419

IUPAC5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-4-9-18(15(2)10-14)25-20-13-22-19(12-23-20)21(26)24-11-16-5-7-17(27-3)8-6-16/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRWWBDRSWPXRQJW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.78
Rot. Bonds6

About 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282419) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282419
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-4-9-18(15(2)10-14)25-20-13-22-19(12-23-20)21(26)24-11-16-5-7-17(27-3)8-6-16/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRWWBDRSWPXRQJW-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443
5-(2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284865
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279368
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282419) is 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1.
What is the InChIKey of 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is RWWBDRSWPXRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-4-9-18(15(2)10-14)25-20-13-22-19(12-23-20)21(26)24-11-16-5-7-17(27-3)8-6-16/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).