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

C10H14ClN3O — CID 102989622

IUPACN-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)Nc1nccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-6(2)7(3)10(15)14-9-8(11)12-4-5-13-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyCJKMYRDNAKZDJS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.36
Rot. Bonds3

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

N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide (PubChem CID 102989622) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
PubChem CID102989622
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)Nc1nccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-6(2)7(3)10(15)14-9-8(11)12-4-5-13-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyCJKMYRDNAKZDJS-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102989286
N-(3-chloropyrazin-2-yl)but-2-ynamide
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CID 102989723
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 113228993
1-[(3-chloropyrazin-2-yl)amino]propan-2-one
CID 15149679
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
3-[(3-chloropyrazin-2-yl)amino]-2-methylbutan-2-ol
CID 131010704
N-(3-chloropyrazin-2-yl)-4-methyl-1,2-oxazole-5-carboxamide
CID 102989712
N-(3-chloropyrazin-2-yl)-1,2-oxazole-3-carboxamide
CID 102989094
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 102989436
N-(3-chloropyrazin-2-yl)pyridazine-4-carboxamide
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N'-(3-chloropyrazin-2-yl)propanehydrazide
CID 127012228

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide (CID 102989622) is N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide?
The InChIKey is CJKMYRDNAKZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(2)7(3)10(15)14-9-8(11)12-4-5-13-9/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide?
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide has a molecular weight of 227.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 102989622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).