3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide

C11H12F2N6O — CID 38343857

IUPAC3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1nccnc1N
InChIInChI=1S/C11H12F2N6O/c1-18(6-7-15-4-5-19(7)11(12)13)10(20)8-9(14)17-3-2-16-8/h2-5,11H,6H2,1H3,(H2,14,17)
InChIKeyAUPKKQSDPMOTNR-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.92
Rot. Bonds4

About 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide

3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 38343857) has the molecular formula C11H12F2N6O and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
PubChem CID38343857
Molecular FormulaC11H12F2N6O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1nccnc1N
InChIInChI=1S/C11H12F2N6O/c1-18(6-7-15-4-5-19(7)11(12)13)10(20)8-9(14)17-3-2-16-8/h2-5,11H,6H2,1H3,(H2,14,17)
InChIKeyAUPKKQSDPMOTNR-UHFFFAOYSA-N
XLogP0.92
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
CID 120643126
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 120612493
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 38341610
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 38342197
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134044459
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968
2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 87013866

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide (CID 38343857) is 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide is CN(Cc1nccn1C(F)F)C(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is AUPKKQSDPMOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N6O/c1-18(6-7-15-4-5-19(7)11(12)13)10(20)8-9(14)17-3-2-16-8/h2-5,11H,6H2,1H3,(H2,14,17).
What are the key properties of 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide?
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 38343857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).