5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid

C15H16F2N4O2 — CID 122048084

IUPAC5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
SMILESCN(C)C(CNc1cnc(C(=O)O)cn1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O2/c1-21(2)12(14-9(16)4-3-5-10(14)17)7-20-13-8-18-11(6-19-13)15(22)23/h3-6,8,12H,7H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyNMCFCRXHVBXIKX-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.17
Rot. Bonds6

About 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid

5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122048084) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
PubChem CID122048084
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
SMILESCN(C)C(CNc1cnc(C(=O)O)cn1)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O2/c1-21(2)12(14-9(16)4-3-5-10(14)17)7-20-13-8-18-11(6-19-13)15(22)23/h3-6,8,12H,7H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyNMCFCRXHVBXIKX-UHFFFAOYSA-N
XLogP2.17
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid
CID 122057704
5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107375107
5-[2-(2-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048266
5-[[1-(2-fluorophenyl)-1-methoxypropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122050315
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047756
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-methyl-N-pyrrolidin-3-ylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167915582
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047957
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053074
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid (CID 122048084) is 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid is CN(C)C(CNc1cnc(C(=O)O)cn1)c1c(F)cccc1F.
What is the InChIKey of 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is NMCFCRXHVBXIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-21(2)12(14-9(16)4-3-5-10(14)17)7-20-13-8-18-11(6-19-13)15(22)23/h3-6,8,12H,7H2,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid?
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).