5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide

C17H22N4O3 — CID 109272862

IUPAC5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCC(C)C)cn2)c(OC)c1
InChIInChI=1S/C17H22N4O3/c1-11(2)8-20-17(22)14-9-19-16(10-18-14)21-13-6-5-12(23-3)7-15(13)24-4/h5-7,9-11H,8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyQFIFUAYVLBCSQG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.62
Rot. Bonds7

About 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide

5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272862) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272862
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCC(C)C)cn2)c(OC)c1
InChIInChI=1S/C17H22N4O3/c1-11(2)8-20-17(22)14-9-19-16(10-18-14)21-13-6-5-12(23-3)7-15(13)24-4/h5-7,9-11H,8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyQFIFUAYVLBCSQG-UHFFFAOYSA-N
XLogP2.62
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
CID 109288056
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291979
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340512
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109272832
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293927
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272862) is 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)NCC(C)C)cn2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is QFIFUAYVLBCSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)8-20-17(22)14-9-19-16(10-18-14)21-13-6-5-12(23-3)7-15(13)24-4/h5-7,9-11H,8H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).