5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide

C10H13ClN4O2 — CID 103803259

IUPAC5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H13ClN4O2/c1-2-3-12-9(16)6-15-10(17)7-4-14-8(11)5-13-7/h4-5H,2-3,6H2,1H3,(H,12,16)(H,15,17)
InChIKeyVCYNJILLTNFHNI-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.39
Rot. Bonds5

About 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide

5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 103803259) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
PubChem CID103803259
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H13ClN4O2/c1-2-3-12-9(16)6-15-10(17)7-4-14-8(11)5-13-7/h4-5H,2-3,6H2,1H3,(H,12,16)(H,15,17)
InChIKeyVCYNJILLTNFHNI-UHFFFAOYSA-N
XLogP0.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
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-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide (CID 103803259) is 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide is CCCNC(=O)CNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is VCYNJILLTNFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-2-3-12-9(16)6-15-10(17)7-4-14-8(11)5-13-7/h4-5H,2-3,6H2,1H3,(H,12,16)(H,15,17).
What are the key properties of 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103803259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).