methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate

C16H16FN3O4 — CID 75440273

IUPACmethyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(C(=O)NC(C)c2c(F)cccc2OC)cn1
InChIInChI=1S/C16H16FN3O4/c1-9(14-10(17)5-4-6-13(14)23-2)20-15(21)11-7-19-12(8-18-11)16(22)24-3/h4-9H,1-3H3,(H,20,21)
InChIKeyFJQDVRHWRDWRFZ-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.90
Rot. Bonds5

About methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate

methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate (PubChem CID 75440273) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
PubChem CID75440273
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Namemethyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(C(=O)NC(C)c2c(F)cccc2OC)cn1
InChIInChI=1S/C16H16FN3O4/c1-9(14-10(17)5-4-6-13(14)23-2)20-15(21)11-7-19-12(8-18-11)16(22)24-3/h4-9H,1-3H3,(H,20,21)
InChIKeyFJQDVRHWRDWRFZ-UHFFFAOYSA-N
XLogP1.90
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71998489
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 99811467
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271349
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136782968
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate (CID 75440273) is methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate is COC(=O)c1cnc(C(=O)NC(C)c2c(F)cccc2OC)cn1.
What is the InChIKey of methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate?
The InChIKey is FJQDVRHWRDWRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-9(14-10(17)5-4-6-13(14)23-2)20-15(21)11-7-19-12(8-18-11)16(22)24-3/h4-9H,1-3H3,(H,20,21).
What are the key properties of methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate?
methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate has a molecular weight of 333.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 75440273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).