N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide

C15H26N4O2 — CID 115883760

IUPACN-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
SMILESCC(C)Cn1ccnc(NCCC(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O2/c1-11(2)10-19-9-8-17-13(14(19)21)16-7-6-12(20)18-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,16,17)(H,18,20)
InChIKeyMAHSDOSZIZLDLZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.62
Rot. Bonds6

About N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide

N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide (PubChem CID 115883760) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
PubChem CID115883760
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
SMILESCC(C)Cn1ccnc(NCCC(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O2/c1-11(2)10-19-9-8-17-13(14(19)21)16-7-6-12(20)18-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,16,17)(H,18,20)
InChIKeyMAHSDOSZIZLDLZ-UHFFFAOYSA-N
XLogP1.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 115765269
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide (CID 115883760) is N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide is CC(C)Cn1ccnc(NCCC(=O)NC(C)(C)C)c1=O.
What is the InChIKey of N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide?
The InChIKey is MAHSDOSZIZLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)10-19-9-8-17-13(14(19)21)16-7-6-12(20)18-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,16,17)(H,18,20).
What are the key properties of N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide?
N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide is sourced from PubChem (CID 115883760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).