N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide

C13H22N4O — CID 109272412

IUPACN-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-5-6-7-14-12(18)10-8-16-11(9-15-10)17-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyRCXMDIKWTYYEHP-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.22
Rot. Bonds5

About N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide

N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide (PubChem CID 109272412) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
PubChem CID109272412
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-5-6-7-14-12(18)10-8-16-11(9-15-10)17-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyRCXMDIKWTYYEHP-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109272532
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
CID 109272506

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide (CID 109272412) is N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(NC(C)(C)C)cn1.
What is the InChIKey of N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide?
The InChIKey is RCXMDIKWTYYEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-6-7-14-12(18)10-8-16-11(9-15-10)17-13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide?
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).