5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide

C12H18ClN3O — CID 107258493

IUPAC5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-8(2)12(3,4)7-16-11(17)9-5-15-10(13)6-14-9/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyPWHAWMIKLNYNAB-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.54
Rot. Bonds4

About 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide

5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide (PubChem CID 107258493) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
PubChem CID107258493
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-8(2)12(3,4)7-16-11(17)9-5-15-10(13)6-14-9/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyPWHAWMIKLNYNAB-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
CID 103803397
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide (CID 107258493) is 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide is CC(C)C(C)(C)CNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide?
The InChIKey is PWHAWMIKLNYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)12(3,4)7-16-11(17)9-5-15-10(13)6-14-9/h5-6,8H,7H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide?
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107258493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).