5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid

C15H16FN3O2 — CID 177322894

IUPAC5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-9(2)13-14(18-8-12(19-13)15(20)21)17-7-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyRDCPEVBSOQFYRZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.05
Rot. Bonds5

About 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid

5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid (PubChem CID 177322894) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid
PubChem CID177322894
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-9(2)13-14(18-8-12(19-13)15(20)21)17-7-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyRDCPEVBSOQFYRZ-UHFFFAOYSA-N
XLogP3.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 156875118
5,6-di(propan-2-yl)pyrazine-2-carboxylic acid
CID 22493535
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351
6-[(4-fluorophenyl)methylamino]-5-nitropyridine-2-carboxylic acid
CID 114403481
6-[3,3-dimethyl-4-[5-[(4-methylphenyl)methylamino]-6-propan-2-ylpyrazine-2-carbonyl]piperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 177323004
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624681
lithium 6-propan-2-yl-5-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylate
CID 177322695
5-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 12640237
[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 156875179
6-amino-5-propan-2-ylpyrazine-2-carboxylic acid
CID 130118794
methyl 2,5-dichloro-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylate
CID 87422205

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid (CID 177322894) is 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid is CC(C)c1nc(C(=O)O)cnc1NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid?
The InChIKey is RDCPEVBSOQFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9(2)13-14(18-8-12(19-13)15(20)21)17-7-10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid?
5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 177322894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).