N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide

C14H24N4O — CID 107376964

IUPACN-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCC(C)(C)C)cn1
InChIInChI=1S/C14H24N4O/c1-5-7-15-12-10-17-11(9-18-12)13(19)16-8-6-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyABWYAGZNKRRGTF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds6

About N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide

N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107376964) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107376964
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCC(C)(C)C)cn1
InChIInChI=1S/C14H24N4O/c1-5-7-15-12-10-17-11(9-18-12)13(19)16-8-6-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyABWYAGZNKRRGTF-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
5-(propylamino)-N-(2-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107375151

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107376964) is N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCC(C)(C)C)cn1.
What is the InChIKey of N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is ABWYAGZNKRRGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-7-15-12-10-17-11(9-18-12)13(19)16-8-6-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).