N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

C17H22N4O2 — CID 109276285

IUPACN-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N4O2/c1-12-5-6-14(13(2)9-12)21-17(22)15-10-20-16(11-19-15)18-7-4-8-23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyQWYGMZQKIHVUEJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds7

About N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (PubChem CID 109276285) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
PubChem CID109276285
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N4O2/c1-12-5-6-14(13(2)9-12)21-17(22)15-10-20-16(11-19-15)18-7-4-8-23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyQWYGMZQKIHVUEJ-UHFFFAOYSA-N
XLogP2.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109287359
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184527
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109273399
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (CID 109276285) is N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2ccc(C)cc2C)cn1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The InChIKey is QWYGMZQKIHVUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-5-6-14(13(2)9-12)21-17(22)15-10-20-16(11-19-15)18-7-4-8-23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109276285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).