3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid

C18H15FN4O2 — CID 146380344

IUPAC3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C18H15FN4O2/c1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25/h3-8H,1-2H3,(H2,20,23)(H,24,25)
InChIKeyKVKXZMFKETZXCX-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.24
Rot. Bonds3

About 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid (PubChem CID 146380344) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
PubChem CID146380344
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1
InChIInChI=1S/C18H15FN4O2/c1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25/h3-8H,1-2H3,(H2,20,23)(H,24,25)
InChIKeyKVKXZMFKETZXCX-UHFFFAOYSA-N
XLogP3.24
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid (CID 146380344) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid is Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.
What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is KVKXZMFKETZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25/h3-8H,1-2H3,(H2,20,23)(H,24,25).
What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 146380344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).