N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride

C20H23ClF2N4O4 — CID 140586559

About N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride

N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride (PubChem CID 140586559) has the molecular formula C20H23ClF2N4O4 and a molecular weight of 456.88 g/mol. Its IUPAC name is N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride
• PubChem CID: 140586559
• Molecular Formula: C20H23ClF2N4O4
• Molecular Weight: 456.88 g/mol
• Exact Mass: 456.14
• IUPAC Name: N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride
• SMILES: COCCOc1ccc(C(=O)Nc2cccc(C3(C(F)F)COCC(N)=N3)c2)nc1.Cl
• InChI: InChI=1S/C20H22F2N4O4.ClH/c1-28-7-8-30-15-5-6-16(24-10-15)18(27)25-14-4-2-3-13(9-14)20(19(21)22)12-29-11-17(23)26-20;/h2-6,9-10,19H,7-8,11-12H2,1H3,(H2,23,26)(H,25,27);1H
• InChIKey: FOBFIMWXGLDJQP-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 108.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.88
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride (CID 140586559) is N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride is COCCOc1ccc(C(=O)Nc2cccc(C3(C(F)F)COCC(N)=N3)c2)nc1.Cl.

What is the InChIKey of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride?

The InChIKey is FOBFIMWXGLDJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4.ClH/c1-28-7-8-30-15-5-6-16(24-10-15)18(27)25-14-4-2-3-13(9-14)20(19(21)22)12-29-11-17(23)26-20;/h2-6,9-10,19H,7-8,11-12H2,1H3,(H2,23,26)(H,25,27);1H.

What are the key properties of N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride?

N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride has a molecular weight of 456.88 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 140586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).