[3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone

C25H25F2N3O4 — CID 24746456

IUPAC[3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-]
InChIInChI=1S/C25H25F2N3O4/c1-16-14-18(34-13-10-29-8-11-33-12-9-29)3-5-19(16)24-23(28)21(6-7-30(24)32)25(31)20-4-2-17(26)15-22(20)27/h2-7,14-15H,8-13,28H2,1H3
InChIKeyPRIXMKFORFZRFU-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.10
Rot. Bonds7

About [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone

[3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone (PubChem CID 24746456) has the molecular formula C25H25F2N3O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone
PubChem CID24746456
Molecular FormulaC25H25F2N3O4
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Name[3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-]
InChIInChI=1S/C25H25F2N3O4/c1-16-14-18(34-13-10-29-8-11-33-12-9-29)3-5-19(16)24-23(28)21(6-7-30(24)32)25(31)20-4-2-17(26)15-22(20)27/h2-7,14-15H,8-13,28H2,1H3
InChIKeyPRIXMKFORFZRFU-UHFFFAOYSA-N
XLogP3.10
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aminopyridine N-oxide, 55
CID 24744181
Aminopyridine N-oxide, 44
CID 24745605
Aminopyridine N-oxide, 51
CID 24746115
Aminopyridine N-oxide, 60
CID 24746457
4-[2-[4-[4-(2,4-Difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium-8-yl]-3-methylphenoxy]ethyl]morpholine
CID 56834583
3-methyl-2-[6-[4-[2-(1-piperidyl)ethoxy]phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70692133
11-[2-(4-Methylpiperazin-1-yl)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 168284745
8-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70685817
3-methyl-2-[6-[3-[2-(1-piperidyl)ethoxy]phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70685826
3-methyl-2-[6-[4-(2-morpholinoethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70689971
3-methyl-2-[6-[3-(2-morpholinoethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70694183
2-[[5-[4-Methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]methoxy]pyridine-3-carboxamide
CID 90680810

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone (CID 24746456) is [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone is Cc1cc(OCCN2CCOCC2)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-].
What is the InChIKey of [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is PRIXMKFORFZRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4/c1-16-14-18(34-13-10-29-8-11-33-12-9-29)3-5-19(16)24-23(28)21(6-7-30(24)32)25(31)20-4-2-17(26)15-22(20)27/h2-7,14-15H,8-13,28H2,1H3.
What are the key properties of [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone?
[3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 469.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1-oxidopyridin-1-ium-4-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 24746456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).