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

5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107372076
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999117
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601

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).