N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide

C19H26N4O2 — CID 133424247

IUPACN,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nccn(CC(C)C)c2=O)cc1
InChIInChI=1S/C19H26N4O2/c1-5-22(6-2)18(24)15-7-9-16(10-8-15)21-17-19(25)23(12-11-20-17)13-14(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,20,21)
InChIKeyIXDLDXDXYLZDAM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.12
Rot. Bonds7

About N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide

N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide (PubChem CID 133424247) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide
PubChem CID133424247
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nccn(CC(C)C)c2=O)cc1
InChIInChI=1S/C19H26N4O2/c1-5-22(6-2)18(24)15-7-9-16(10-8-15)21-17-19(25)23(12-11-20-17)13-14(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,20,21)
InChIKeyIXDLDXDXYLZDAM-UHFFFAOYSA-N
XLogP3.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
methyl N-[[4-[(4-ethyl-3-oxopyrazin-2-yl)amino]phenyl]methyl]carbamate
CID 167875404
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
N,N-diethyl-4-(2-methylpropylamino)benzamide
CID 102002843
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107866306
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939654
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide (CID 133424247) is N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide is CCN(CC)C(=O)c1ccc(Nc2nccn(CC(C)C)c2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide?
The InChIKey is IXDLDXDXYLZDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-22(6-2)18(24)15-7-9-16(10-8-15)21-17-19(25)23(12-11-20-17)13-14(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,20,21).
What are the key properties of N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide?
N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]benzamide is sourced from PubChem (CID 133424247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).