3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide

C20H14FN5O2 — CID 11530903

IUPAC3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C20H14FN5O2/c1-12-2-3-13(20-23-6-7-28-20)8-15(12)17-10-25-18(11-24-17)26-19(27)14-4-5-22-9-16(14)21/h2-11H,1H3,(H,25,26,27)
InChIKeyVTBPHMRYILWULV-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.89
Rot. Bonds4

About 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide

3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 11530903) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID11530903
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Name3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1cnc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C20H14FN5O2/c1-12-2-3-13(20-23-6-7-28-20)8-15(12)17-10-25-18(11-24-17)26-19(27)14-4-5-22-9-16(14)21/h2-11H,1H3,(H,25,26,27)
InChIKeyVTBPHMRYILWULV-UHFFFAOYSA-N
XLogP3.89
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (CID 11530903) is 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2ncco2)cc1-c1cnc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is VTBPHMRYILWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c1-12-2-3-13(20-23-6-7-28-20)8-15(12)17-10-25-18(11-24-17)26-19(27)14-4-5-22-9-16(14)21/h2-11H,1H3,(H,25,26,27).
What are the key properties of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11530903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).