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

C20H16FN3O3 — CID 58487162

IUPAC3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccncc3F)nc1)OCCO2
InChIInChI=1S/C20H16FN3O3/c1-12-8-17-18(27-7-6-26-17)9-15(12)13-2-3-19(23-10-13)24-20(25)14-4-5-22-11-16(14)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,25)
InChIKeyQOHWSWPGITYUTB-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.61
Rot. Bonds3

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

3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 58487162) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
PubChem CID58487162
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3ccncc3F)nc1)OCCO2
InChIInChI=1S/C20H16FN3O3/c1-12-8-17-18(27-7-6-26-17)9-15(12)13-2-3-19(23-10-13)24-20(25)14-4-5-22-11-16(14)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,25)
InChIKeyQOHWSWPGITYUTB-UHFFFAOYSA-N
XLogP3.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide (CID 58487162) is 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3ccncc3F)nc1)OCCO2.
What is the InChIKey of 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is QOHWSWPGITYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-12-8-17-18(27-7-6-26-17)9-15(12)13-2-3-19(23-10-13)24-20(25)14-4-5-22-11-16(14)21/h2-5,8-11H,6-7H2,1H3,(H,23,24,25).
What are the key properties of 3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide?
3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 58487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).