[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

C16H18N4O3 — CID 46625048

IUPAC[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)C(C)OC(=O)c1nccnc1N
InChIInChI=1S/C16H18N4O3/c1-9-5-4-6-10(2)12(9)20-15(21)11(3)23-16(22)13-14(17)19-8-7-18-13/h4-8,11H,1-3H3,(H2,17,19)(H,20,21)
InChIKeyNVOJVWLWMOHGHK-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.86
Rot. Bonds4

About [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (PubChem CID 46625048) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
PubChem CID46625048
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESCc1cccc(C)c1NC(=O)C(C)OC(=O)c1nccnc1N
InChIInChI=1S/C16H18N4O3/c1-9-5-4-6-10(2)12(9)20-15(21)11(3)23-16(22)13-14(17)19-8-7-18-13/h4-8,11H,1-3H3,(H2,17,19)(H,20,21)
InChIKeyNVOJVWLWMOHGHK-UHFFFAOYSA-N
XLogP1.86
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 17419619
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 7469249
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 18169674
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 55424165
[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379743
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 46619586
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41104835
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40812442
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 42893106
[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 7274835
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720
[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 23971950

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (CID 46625048) is [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is Cc1cccc(C)c1NC(=O)C(C)OC(=O)c1nccnc1N.
What is the InChIKey of [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The InChIKey is NVOJVWLWMOHGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9-5-4-6-10(2)12(9)20-15(21)11(3)23-16(22)13-14(17)19-8-7-18-13/h4-8,11H,1-3H3,(H2,17,19)(H,20,21).
What are the key properties of [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate has a molecular weight of 314.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 46625048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).