5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide

C11H15ClN4O2 — CID 113264996

IUPAC5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H15ClN4O2/c1-2-4-13-10(17)3-5-14-11(18)8-6-16-9(12)7-15-8/h6-7H,2-5H2,1H3,(H,13,17)(H,14,18)
InChIKeyHXQSQMUVGGGWMP-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.78
Rot. Bonds6

About 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide

5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide (PubChem CID 113264996) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
PubChem CID113264996
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H15ClN4O2/c1-2-4-13-10(17)3-5-14-11(18)8-6-16-9(12)7-15-8/h6-7H,2-5H2,1H3,(H,13,17)(H,14,18)
InChIKeyHXQSQMUVGGGWMP-UHFFFAOYSA-N
XLogP0.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide (CID 113264996) is 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide is CCCNC(=O)CCNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is HXQSQMUVGGGWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-4-13-10(17)3-5-14-11(18)8-6-16-9(12)7-15-8/h6-7H,2-5H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide?
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 113264996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).