5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

C17H22N4O — CID 109273399

IUPAC5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N4O/c1-5-13(4)20-16-10-18-15(9-19-16)17(22)21-14-7-6-11(2)8-12(14)3/h6-10,13H,5H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyCMWHMWFEDQKLOB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds5

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

5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109273399) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109273399
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N4O/c1-5-13(4)20-16-10-18-15(9-19-16)17(22)21-14-7-6-11(2)8-12(14)3/h6-10,13H,5H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyCMWHMWFEDQKLOB-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109249103
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109287359
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676
5-(butan-2-ylamino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109273434
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109273413
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109273399) is 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is CCC(C)Nc1cnc(C(=O)Nc2ccc(C)cc2C)cn1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is CMWHMWFEDQKLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-13(4)20-16-10-18-15(9-19-16)17(22)21-14-7-6-11(2)8-12(14)3/h6-10,13H,5H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).