N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide

C13H22N4O — CID 107377291

IUPACN-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCC(C)(C)CC)cn1
InChIInChI=1S/C13H22N4O/c1-5-13(3,4)9-17-12(18)10-7-16-11(8-15-10)14-6-2/h7-8H,5-6,9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyFYRBQXYQWBJRLB-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds6

About N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide

N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107377291) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107377291
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCC(C)(C)CC)cn1
InChIInChI=1S/C13H22N4O/c1-5-13(3,4)9-17-12(18)10-7-16-11(8-15-10)14-6-2/h7-8H,5-6,9H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyFYRBQXYQWBJRLB-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2-carboxamide
CID 107377215
N-(2-cyclopropylpropan-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 114112374
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazine-2-carboxamide
CID 106377240
N-(3-cyclopropylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377006
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
N-(2,2-dimethylpropyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377627
5-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyrazine-2-carboxamide
CID 107377055
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
5-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2-carboxamide
CID 107375742
5-(ethylamino)-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 107374377
5-hydrazinyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazine-2-carboxamide
CID 107378643

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107377291) is N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCC(C)(C)CC)cn1.
What is the InChIKey of N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is FYRBQXYQWBJRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-13(3,4)9-17-12(18)10-7-16-11(8-15-10)14-6-2/h7-8H,5-6,9H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107377291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).