5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine

C18H21FN4O2 — CID 146669595

IUPAC5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine
SMILES[H]/N=C(\c1cccc(OCCN2CCOCC2)c1)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C18H21FN4O2/c19-15-4-5-17(20)23(13-15)18(21)14-2-1-3-16(12-14)25-11-8-22-6-9-24-10-7-22/h1-5,12-13,20-21H,6-11H2/b20-17+,21-18+
InChIKeyIMNVDUJZRWRFSB-PHEFWILJSA-N
MW344.39 g/mol
LogP1.69
Rot. Bonds5

About 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine

5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine (PubChem CID 146669595) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine
PubChem CID146669595
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine
SMILES[H]/N=C(\c1cccc(OCCN2CCOCC2)c1)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C18H21FN4O2/c19-15-4-5-17(20)23(13-15)18(21)14-2-1-3-16(12-14)25-11-8-22-6-9-24-10-7-22/h1-5,12-13,20-21H,6-11H2/b20-17+,21-18+
InChIKeyIMNVDUJZRWRFSB-PHEFWILJSA-N
XLogP1.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine 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

(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
3-[2-(1,4-oxazepan-4-yl)ethoxy]benzenecarbothioamide
CID 62988863
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 70195581
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 68628677

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine?
The IUPAC name of 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine (CID 146669595) is 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine is [H]/N=C(\c1cccc(OCCN2CCOCC2)c1)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine?
The InChIKey is IMNVDUJZRWRFSB-PHEFWILJSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-4-5-17(20)23(13-15)18(21)14-2-1-3-16(12-14)25-11-8-22-6-9-24-10-7-22/h1-5,12-13,20-21H,6-11H2/b20-17+,21-18+.
What are the key properties of 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine?
5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine has a molecular weight of 344.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[3-(2-morpholin-4-ylethoxy)benzenecarboximidoyl]pyridin-2-imine is sourced from PubChem (CID 146669595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).