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

C19H14F2N4O3 — CID 58486923

IUPAC3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)OCCO2
InChIInChI=1S/C19H14F2N4O3/c1-10-4-15-16(28-3-2-27-15)5-11(10)14-8-24-17(9-23-14)25-19(26)18-12(20)6-22-7-13(18)21/h4-9H,2-3H2,1H3,(H,24,25,26)
InChIKeyAFBRVDHYHVMJQE-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.15
Rot. Bonds3

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

3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 58486923) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID58486923
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)OCCO2
InChIInChI=1S/C19H14F2N4O3/c1-10-4-15-16(28-3-2-27-15)5-11(10)14-8-24-17(9-23-14)25-19(26)18-12(20)6-22-7-13(18)21/h4-9H,2-3H2,1H3,(H,24,25,26)
InChIKeyAFBRVDHYHVMJQE-UHFFFAOYSA-N
XLogP3.15
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide (CID 58486923) is 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)OCCO2.
What is the InChIKey of 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is AFBRVDHYHVMJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c1-10-4-15-16(28-3-2-27-15)5-11(10)14-8-24-17(9-23-14)25-19(26)18-12(20)6-22-7-13(18)21/h4-9H,2-3H2,1H3,(H,24,25,26).
What are the key properties of 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide?
3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58486923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).