3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide

C18H14FN3O — CID 174491616

IUPAC3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nccnc2F)ccc1-c1ccccc1
InChIInChI=1S/C18H14FN3O/c1-12-11-14(7-8-15(12)13-5-3-2-4-6-13)22-18(23)16-17(19)21-10-9-20-16/h2-11H,1H3,(H,22,23)
InChIKeyAJAGOSSZQRFOHV-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.84
Rot. Bonds3

About 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide

3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide (PubChem CID 174491616) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide
PubChem CID174491616
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nccnc2F)ccc1-c1ccccc1
InChIInChI=1S/C18H14FN3O/c1-12-11-14(7-8-15(12)13-5-3-2-4-6-13)22-18(23)16-17(19)21-10-9-20-16/h2-11H,1H3,(H,22,23)
InChIKeyAJAGOSSZQRFOHV-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide (CID 174491616) is 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2nccnc2F)ccc1-c1ccccc1.
What is the InChIKey of 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide?
The InChIKey is AJAGOSSZQRFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-12-11-14(7-8-15(12)13-5-3-2-4-6-13)22-18(23)16-17(19)21-10-9-20-16/h2-11H,1H3,(H,22,23).
What are the key properties of 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide?
3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 174491616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).