5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid

C15H15F2N3O4 — CID 122047818

IUPAC5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
SMILESCCOc1cc(CNc2cnc(C(=O)O)cn2)ccc1OC(F)F
InChIInChI=1S/C15H15F2N3O4/c1-2-23-12-5-9(3-4-11(12)24-15(16)17)6-19-13-8-18-10(7-20-13)14(21)22/h3-5,7-8,15H,2,6H2,1H3,(H,19,20)(H,21,22)
InChIKeyUPRGHZNSZNRLKN-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.79
Rot. Bonds8

About 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid

5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122047818) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122047818
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Name5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
SMILESCCOc1cc(CNc2cnc(C(=O)O)cn2)ccc1OC(F)F
InChIInChI=1S/C15H15F2N3O4/c1-2-23-12-5-9(3-4-11(12)24-15(16)17)6-19-13-8-18-10(7-20-13)14(21)22/h3-5,7-8,15H,2,6H2,1H3,(H,19,20)(H,21,22)
InChIKeyUPRGHZNSZNRLKN-UHFFFAOYSA-N
XLogP2.79
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
5-[3-(3-ethoxy-4-methoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053887
3-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 120509977
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122047842
3-[3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]propanoic acid
CID 122044373
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol
CID 110902628
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 60999901
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid (CID 122047818) is 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid is CCOc1cc(CNc2cnc(C(=O)O)cn2)ccc1OC(F)F.
What is the InChIKey of 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is UPRGHZNSZNRLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-2-23-12-5-9(3-4-11(12)24-15(16)17)6-19-13-8-18-10(7-20-13)14(21)22/h3-5,7-8,15H,2,6H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid?
5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 339.30 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).