N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide

C15H26N4O — CID 109288114

IUPACN-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)N(C)CCCC)cn1
InChIInChI=1S/C15H26N4O/c1-4-6-8-9-16-14-12-17-13(11-18-14)15(20)19(3)10-7-5-2/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyIJGITVSUFXXYIJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.95
Rot. Bonds9

About N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide

N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide (PubChem CID 109288114) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
PubChem CID109288114
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)N(C)CCCC)cn1
InChIInChI=1S/C15H26N4O/c1-4-6-8-9-16-14-12-17-13(11-18-14)15(20)19(3)10-7-5-2/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyIJGITVSUFXXYIJ-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
CID 107377361
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376210
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide (CID 109288114) is N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)N(C)CCCC)cn1.
What is the InChIKey of N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide?
The InChIKey is IJGITVSUFXXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-6-8-9-16-14-12-17-13(11-18-14)15(20)19(3)10-7-5-2/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide?
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109288114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).