N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide

C9H12ClN3O — CID 107595750

IUPACN-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-9(2,3)8(14)13-7-5-11-6(10)4-12-7/h4-5H,1-3H3,(H,12,13,14)
InChIKeyBONDAUIXNYZVBB-UHFFFAOYSA-N
MW213.67 g/mol
LogP2.11
Rot. Bonds1

About N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide

N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide (PubChem CID 107595750) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
PubChem CID107595750
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC NameN-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-9(2,3)8(14)13-7-5-11-6(10)4-12-7/h4-5H,1-3H3,(H,12,13,14)
InChIKeyBONDAUIXNYZVBB-UHFFFAOYSA-N
XLogP2.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide (CID 107595750) is N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is BONDAUIXNYZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-9(2,3)8(14)13-7-5-11-6(10)4-12-7/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide?
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 213.67 g/mol, XLogP of 2.11, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 107595750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).