N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide

C12H10FN3O — CID 1245514

IUPACN-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnccn1
InChIInChI=1S/C12H10FN3O/c1-8-6-9(13)2-3-10(8)16-12(17)11-7-14-4-5-15-11/h2-7H,1H3,(H,16,17)
InChIKeyLMTUWFSKHGVOQE-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.18
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide

N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 1245514) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide
PubChem CID1245514
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC NameN-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cnccn1
InChIInChI=1S/C12H10FN3O/c1-8-6-9(13)2-3-10(8)16-12(17)11-7-14-4-5-15-11/h2-7H,1H3,(H,16,17)
InChIKeyLMTUWFSKHGVOQE-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide (CID 1245514) is N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cnccn1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is LMTUWFSKHGVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-8-6-9(13)2-3-10(8)16-12(17)11-7-14-4-5-15-11/h2-7H,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 231.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1245514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).