N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide

C17H22N4O3 — CID 109273249

IUPACN-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)20-17(22)13-9-19-16(10-18-13)21-12-6-7-14(23-3)15(8-12)24-4/h6-11H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyCIFRBKVPBAHASU-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.77
Rot. Bonds7

About N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide

N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109273249) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
PubChem CID109273249
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C17H22N4O3/c1-5-11(2)20-17(22)13-9-19-16(10-18-13)21-12-6-7-14(23-3)15(8-12)24-4/h6-11H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyCIFRBKVPBAHASU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109273244
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
CID 109273223
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
N-(2,6-difluorophenyl)-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109293971
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide (CID 109273249) is N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(Nc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is CIFRBKVPBAHASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-11(2)20-17(22)13-9-19-16(10-18-13)21-12-6-7-14(23-3)15(8-12)24-4/h6-11H,5H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide?
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).