N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide

C15H14FN3O2 — CID 138024731

IUPACN-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2(c3ccccc3F)COC2)cn1
InChIInChI=1S/C15H14FN3O2/c1-10-6-18-13(7-17-10)14(20)19-15(8-21-9-15)11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyYVUMYVSOYMIEHW-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.58
Rot. Bonds3

About N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide

N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 138024731) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID138024731
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2(c3ccccc3F)COC2)cn1
InChIInChI=1S/C15H14FN3O2/c1-10-6-18-13(7-17-10)14(20)19-15(8-21-9-15)11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyYVUMYVSOYMIEHW-UHFFFAOYSA-N
XLogP1.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508
5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 119136012
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
CID 146092931
N-[3-(2-fluorophenyl)oxetan-3-yl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 136566541
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
acetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521434

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide (CID 138024731) is N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2(c3ccccc3F)COC2)cn1.
What is the InChIKey of N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YVUMYVSOYMIEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10-6-18-13(7-17-10)14(20)19-15(8-21-9-15)11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 138024731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).