N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide

C22H20ClFN4O3 — CID 162441449

IUPACN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C22H20ClFN4O3/c1-30-8-5-22(29)27-21-11-15(4-6-25-21)28-7-9-31-20-13-26-18(12-19(20)28)16-10-14(23)2-3-17(16)24/h2-4,6,10-13H,5,7-9H2,1H3,(H,25,27,29)
InChIKeyJRQXANQYCIEHHN-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.44
Rot. Bonds6

About N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide

N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide (PubChem CID 162441449) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide
PubChem CID162441449
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C22H20ClFN4O3/c1-30-8-5-22(29)27-21-11-15(4-6-25-21)28-7-9-31-20-13-26-18(12-19(20)28)16-10-14(23)2-3-17(16)24/h2-4,6,10-13H,5,7-9H2,1H3,(H,25,27,29)
InChIKeyJRQXANQYCIEHHN-UHFFFAOYSA-N
XLogP4.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide?
The IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide (CID 162441449) is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide is COCCC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1.
What is the InChIKey of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide?
The InChIKey is JRQXANQYCIEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3/c1-30-8-5-22(29)27-21-11-15(4-6-25-21)28-7-9-31-20-13-26-18(12-19(20)28)16-10-14(23)2-3-17(16)24/h2-4,6,10-13H,5,7-9H2,1H3,(H,25,27,29).
What are the key properties of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide?
N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide has a molecular weight of 442.88 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-methoxypropanamide is sourced from PubChem (CID 162441449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).