N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide

C10H14ClN3O — CID 104964213

IUPACN-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O/c1-10(2,3)4-9(15)14-8-6-12-7(11)5-13-8/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyGVMOAZTUTOTMRR-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.50
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide

N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide (PubChem CID 104964213) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
PubChem CID104964213
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O/c1-10(2,3)4-9(15)14-8-6-12-7(11)5-13-8/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyGVMOAZTUTOTMRR-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
CID 107595750
N-(5-chloropyrazin-2-yl)octanamide
CID 104964264
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 107596007
N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
CID 107595963
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide
CID 107595653
N'-(5-chloropyrazin-2-yl)-2,2-difluoropropanehydrazide
CID 153370853
N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
N-(5-chloropyrazin-2-yl)-2-pyridin-3-ylacetamide
CID 107595873
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 107596051
N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide (CID 104964213) is N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide?
The InChIKey is GVMOAZTUTOTMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-10(2,3)4-9(15)14-8-6-12-7(11)5-13-8/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide?
N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide has a molecular weight of 227.69 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104964213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).