3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide

C19H15FN4O3 — CID 58486656

IUPAC3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccncc3F)cn1)OCCO2
InChIInChI=1S/C19H15FN4O3/c1-11-6-16-17(27-5-4-26-16)7-13(11)15-9-23-18(10-22-15)24-19(25)12-2-3-21-8-14(12)20/h2-3,6-10H,4-5H2,1H3,(H,23,24,25)
InChIKeyLPIOICXOZRCHGX-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.01
Rot. Bonds3

About 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide

3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 58486656) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID58486656
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccncc3F)cn1)OCCO2
InChIInChI=1S/C19H15FN4O3/c1-11-6-16-17(27-5-4-26-16)7-13(11)15-9-23-18(10-22-15)24-19(25)12-2-3-21-8-14(12)20/h2-3,6-10H,4-5H2,1H3,(H,23,24,25)
InChIKeyLPIOICXOZRCHGX-UHFFFAOYSA-N
XLogP3.01
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.01
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-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide (CID 58486656) is 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3ccncc3F)cn1)OCCO2.
What is the InChIKey of 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is LPIOICXOZRCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-11-6-16-17(27-5-4-26-16)7-13(11)15-9-23-18(10-22-15)24-19(25)12-2-3-21-8-14(12)20/h2-3,6-10H,4-5H2,1H3,(H,23,24,25).
What are the key properties of 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58486656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).