3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide

C11H15N5O — CID 103823311

IUPAC3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nccnc1C#N
InChIInChI=1S/C11H15N5O/c1-11(2,10(17)13-3)7-16-9-8(6-12)14-4-5-15-9/h4-5H,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyWFPSUDGJAYLKGJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.53
Rot. Bonds4

About 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 103823311) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID103823311
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nccnc1C#N
InChIInChI=1S/C11H15N5O/c1-11(2,10(17)13-3)7-16-9-8(6-12)14-4-5-15-9/h4-5H,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyWFPSUDGJAYLKGJ-UHFFFAOYSA-N
XLogP0.53
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile
CID 103705283
3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile
CID 115306176
ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
CID 62672173
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
CID 113320120
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile
CID 62672692

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide (CID 103823311) is 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nccnc1C#N.
What is the InChIKey of 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is WFPSUDGJAYLKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2,10(17)13-3)7-16-9-8(6-12)14-4-5-15-9/h4-5H,7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103823311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).