4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide

C19H14ClFN4O2 — CID 163287319

IUPAC4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCOc2cnc(-c3cc(Cl)ccc3F)cc21
InChIInChI=1S/C19H14ClFN4O2/c20-11-1-2-14(21)12(7-11)15-8-17-18(10-24-15)27-6-5-25(17)16-3-4-23-9-13(16)19(22)26/h1-4,7-10H,5-6H2,(H2,22,26)
InChIKeyWZGMPXXGEORFFW-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.57
Rot. Bonds3

About 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide

4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide (PubChem CID 163287319) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide
PubChem CID163287319
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCOc2cnc(-c3cc(Cl)ccc3F)cc21
InChIInChI=1S/C19H14ClFN4O2/c20-11-1-2-14(21)12(7-11)15-8-17-18(10-24-15)27-6-5-25(17)16-3-4-23-9-13(16)19(22)26/h1-4,7-10H,5-6H2,(H2,22,26)
InChIKeyWZGMPXXGEORFFW-UHFFFAOYSA-N
XLogP3.57
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide (CID 163287319) is 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCOc2cnc(-c3cc(Cl)ccc3F)cc21.
What is the InChIKey of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide?
The InChIKey is WZGMPXXGEORFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c20-11-1-2-14(21)12(7-11)15-8-17-18(10-24-15)27-6-5-25(17)16-3-4-23-9-13(16)19(22)26/h1-4,7-10H,5-6H2,(H2,22,26).
What are the key properties of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide?
4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide has a molecular weight of 384.80 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163287319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).