5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide

C20H16ClFN4O2 — CID 164546084

IUPAC5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
InChIInChI=1S/C20H16ClFN4O2/c1-23-20(27)12-6-11(9-24-10-12)14-8-17(15-7-13(21)2-3-16(15)22)26-19-18(14)28-5-4-25-19/h2-3,6-10H,4-5H2,1H3,(H,23,27)(H,25,26)
InChIKeyKTKXJIIWIQHJMI-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.77
Rot. Bonds3

About 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide

5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide (PubChem CID 164546084) has the molecular formula C20H16ClFN4O2 and a molecular weight of 398.83 g/mol. Its IUPAC name is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide
PubChem CID164546084
Molecular FormulaC20H16ClFN4O2
Molecular Weight398.83 g/mol
Exact Mass398.09
IUPAC Name5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1
InChIInChI=1S/C20H16ClFN4O2/c1-23-20(27)12-6-11(9-24-10-12)14-8-17(15-7-13(21)2-3-16(15)22)26-19-18(14)28-5-4-25-19/h2-3,6-10H,4-5H2,1H3,(H,23,27)(H,25,26)
InChIKeyKTKXJIIWIQHJMI-UHFFFAOYSA-N
XLogP3.77
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide (CID 164546084) is 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cc(-c3cc(Cl)ccc3F)nc3c2OCCN3)c1.
What is the InChIKey of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is KTKXJIIWIQHJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O2/c1-23-20(27)12-6-11(9-24-10-12)14-8-17(15-7-13(21)2-3-16(15)22)26-19-18(14)28-5-4-25-19/h2-3,6-10H,4-5H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide?
5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 398.83 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 164546084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).