N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide

C13H12FN3O — CID 1459735

IUPACN-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(F)ccc2C)cn1
InChIInChI=1S/C13H12FN3O/c1-8-3-4-10(14)5-11(8)17-13(18)12-7-15-9(2)6-16-12/h3-7H,1-2H3,(H,17,18)
InChIKeyZMSJVPSRADCHNW-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.48
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide

N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide (PubChem CID 1459735) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide
PubChem CID1459735
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(F)ccc2C)cn1
InChIInChI=1S/C13H12FN3O/c1-8-3-4-10(14)5-11(8)17-13(18)12-7-15-9(2)6-16-12/h3-7H,1-2H3,(H,17,18)
InChIKeyZMSJVPSRADCHNW-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide (CID 1459735) is N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cc(F)ccc2C)cn1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is ZMSJVPSRADCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-3-4-10(14)5-11(8)17-13(18)12-7-15-9(2)6-16-12/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide?
N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 1459735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).