4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline

C23H25FN4O2 — CID 123972345

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\C1=CC=NC(N2CCOCC2)C1)c1cc(-c2c(F)cccc2OC)ccc1N
InChIInChI=1S/C23H25FN4O2/c1-29-20-4-2-3-18(24)22(20)15-5-6-19(25)17(13-15)23(26)16-7-8-27-21(14-16)28-9-11-30-12-10-28/h2-8,13,21,26H,9-12,14,25H2,1H3/b26-23+
InChIKeyKBOQSZWPTBDTSE-WNAAXNPUSA-N
MW408.48 g/mol
LogP3.51
Rot. Bonds5

About 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline

4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline (PubChem CID 123972345) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline
PubChem CID123972345
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\C1=CC=NC(N2CCOCC2)C1)c1cc(-c2c(F)cccc2OC)ccc1N
InChIInChI=1S/C23H25FN4O2/c1-29-20-4-2-3-18(24)22(20)15-5-6-19(25)17(13-15)23(26)16-7-8-27-21(14-16)28-9-11-30-12-10-28/h2-8,13,21,26H,9-12,14,25H2,1H3/b26-23+
InChIKeyKBOQSZWPTBDTSE-WNAAXNPUSA-N
XLogP3.51
TPSA83.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 59647432
4-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]morpholine
CID 89191299
4-[(2Z,4E,6E)-5-ethoxy-2-(4-fluoro-2-propoxyphenyl)deca-2,4,6-trien-3-yl]-2-methanimidoylaniline
CID 118448048
2-[4-[(3R,5R)-3-ethenyl-5-methylmorpholin-4-yl]-4,5-dihydropyrimidine-6-carboximidoyl]-5-fluoro-4-propan-2-yloxyaniline
CID 130372432
N-[1-(3-methyl-4-morpholin-4-ylphenyl)ethylidene]-2-(trifluoromethoxy)benzenecarboximidamide
CID 143784384
4-[2-[(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-enoxy]-5-fluorophenyl]-2-(2-aminoethanimidoyl)-N-methylaniline
CID 153617811
4-[2-[(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-enoxy]-3,4-difluorophenyl]-2-[2-(dimethylamino)ethanimidoyl]-N-methylaniline
CID 153617823
4-[2-[(Z)-4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-enoxy]-4-fluorophenyl]-2-(2-aminoethanimidoyl)-N-methylaniline
CID 153617831
[4-Amino-3-[2-[6-[3-[2-(dimethylamino)ethanimidoyl]-4-(methylazaniumyl)phenyl]-2,3-difluorophenoxy]ethyl]pent-3-en-2-ylidene]-methylazanium
CID 163678781
4-[2-[4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-enoxy]-3,4-difluorophenyl]-2-[2-(dimethylamino)ethanimidoyl]-N-methylaniline
CID 163678782
[4-Amino-3-[1-amino-2-(ethyliminomethyl)-3-iminoprop-1-enyl]benzenecarboximidoyl] 1-[(2-fluoro-6-methoxyphenyl)methyl]piperidine-3-carboximidate
CID 173823712
4-[2-[4-amino-3-(C,N-dimethylcarbonimidoyl)pent-3-enoxy]-4-fluorophenyl]-2-[2-(dimethylamino)ethanimidoyl]-N-methylaniline
CID 173868429

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline (CID 123972345) is 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline is [H]/N=C(\C1=CC=NC(N2CCOCC2)C1)c1cc(-c2c(F)cccc2OC)ccc1N.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline?
The InChIKey is KBOQSZWPTBDTSE-WNAAXNPUSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-29-20-4-2-3-18(24)22(20)15-5-6-19(25)17(13-15)23(26)16-7-8-27-21(14-16)28-9-11-30-12-10-28/h2-8,13,21,26H,9-12,14,25H2,1H3/b26-23+.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline?
4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline has a molecular weight of 408.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-2-(2-morpholin-4-yl-2,3-dihydropyridine-4-carboximidoyl)aniline is sourced from PubChem (CID 123972345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).