5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid

C16H16FN3O3 — CID 120685423

IUPAC5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(CNC(=O)c1cnc(C(=O)O)cn1)c1ccccc1F
InChIInChI=1S/C16H16FN3O3/c1-16(2,10-5-3-4-6-11(10)17)9-20-14(21)12-7-19-13(8-18-12)15(22)23/h3-8H,9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPGGBUCJKZJUGEV-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.02
Rot. Bonds5

About 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685423) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685423
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(CNC(=O)c1cnc(C(=O)O)cn1)c1ccccc1F
InChIInChI=1S/C16H16FN3O3/c1-16(2,10-5-3-4-6-11(10)17)9-20-14(21)12-7-19-13(8-18-12)15(22)23/h3-8H,9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPGGBUCJKZJUGEV-UHFFFAOYSA-N
XLogP2.02
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
N-[2-(2-fluorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 110468020
5-[(2-ethyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685814
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
CID 115218193
3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 52834645
5-(2-tert-butylsulfanylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 120688956
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
CID 52834676

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid (CID 120685423) is 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid is CC(C)(CNC(=O)c1cnc(C(=O)O)cn1)c1ccccc1F.
What is the InChIKey of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is PGGBUCJKZJUGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-16(2,10-5-3-4-6-11(10)17)9-20-14(21)12-7-19-13(8-18-12)15(22)23/h3-8H,9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).