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

C21H22N4O4 — CID 109282254

IUPAC5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCc3ccccc3OC)cn2)c(OC)c1
InChIInChI=1S/C21H22N4O4/c1-27-15-8-9-16(19(10-15)29-3)25-20-13-22-17(12-23-20)21(26)24-11-14-6-4-5-7-18(14)28-2/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVMBYWNWTXNZZQV-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.18
Rot. Bonds8

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

5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282254) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282254
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCc3ccccc3OC)cn2)c(OC)c1
InChIInChI=1S/C21H22N4O4/c1-27-15-8-9-16(19(10-15)29-3)25-20-13-22-17(12-23-20)21(26)24-11-14-6-4-5-7-18(14)28-2/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVMBYWNWTXNZZQV-UHFFFAOYSA-N
XLogP3.18
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282251
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272862
5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
CID 109288056
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282254) is 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)NCc3ccccc3OC)cn2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is VMBYWNWTXNZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-15-8-9-16(19(10-15)29-3)25-20-13-22-17(12-23-20)21(26)24-11-14-6-4-5-7-18(14)28-2/h4-10,12-13H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).