5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide

C11H14ClN3O — CID 107257972

IUPAC5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
SMILESCCC1(CNC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H14ClN3O/c1-2-11(3-4-11)7-15-10(16)8-5-14-9(12)6-13-8/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKeySJJFFSOHHHOECC-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.05
Rot. Bonds4

About 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide (PubChem CID 107257972) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
PubChem CID107257972
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
SMILESCCC1(CNC(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H14ClN3O/c1-2-11(3-4-11)7-15-10(16)8-5-14-9(12)6-13-8/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKeySJJFFSOHHHOECC-UHFFFAOYSA-N
XLogP2.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-chloropyrazine-2-carboxamide
CID 44586033
5-chloro-N-methylpyrazine-2-carboxamide
CID 59276991
5-chloro-N-propylpyrazine-2-carboxamide
CID 44586032
6-chloro-N,N-dimethylpyrazine-2-carboxamide
CID 28064785
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine
CID 28064962
5-chloro-N,N-dimethylpyrazine-2-carboxamide
CID 59000470
6-chloro-N-methylpyrazine-2-carboxamide
CID 59333483
5-Chloro-pyrazine-2-carboxylic acid hexylamide
CID 406084
N-butylpyrazine-2-carboxamide
CID 470906
N-(2-Chloroethyl)pyrazine-2-carboxamide
CID 91390606
5-Chloro-N-cyclohexyl-2-pyrazinecarboxamide
CID 103803085
5-chloro-N-[(1R)-2,2,2-trifluoro-1-methylethyl]pyrazine-2-carboxamide
CID 86675753

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide (CID 107257972) is 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide is CCC1(CNC(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide?
The InChIKey is SJJFFSOHHHOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-11(3-4-11)7-15-10(16)8-5-14-9(12)6-13-8/h5-6H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).