2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide

C22H19FN2O3 — CID 58486740

IUPAC2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(C)cccc3F)nc1)OCCO2
InChIInChI=1S/C22H19FN2O3/c1-13-4-3-5-17(23)21(13)22(26)25-20-7-6-15(12-24-20)16-11-19-18(10-14(16)2)27-8-9-28-19/h3-7,10-12H,8-9H2,1-2H3,(H,24,25,26)
InChIKeyJCZPZHQENMOOES-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.53
Rot. Bonds3

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

2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide (PubChem CID 58486740) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
PubChem CID58486740
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(C)cccc3F)nc1)OCCO2
InChIInChI=1S/C22H19FN2O3/c1-13-4-3-5-17(23)21(13)22(26)25-20-7-6-15(12-24-20)16-11-19-18(10-14(16)2)27-8-9-28-19/h3-7,10-12H,8-9H2,1-2H3,(H,24,25,26)
InChIKeyJCZPZHQENMOOES-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide (CID 58486740) is 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)cccc3F)nc1)OCCO2.
What is the InChIKey of 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
The InChIKey is JCZPZHQENMOOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-13-4-3-5-17(23)21(13)22(26)25-20-7-6-15(12-24-20)16-11-19-18(10-14(16)2)27-8-9-28-19/h3-7,10-12H,8-9H2,1-2H3,(H,24,25,26).
What are the key properties of 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide?
2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide has a molecular weight of 378.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58486740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).