methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate

C22H27FN4O2 — CID 155354196

IUPACmethyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate
SMILESCC/C=C(C/N=C(\N)c1cc(-c2ccc(F)cn2)cc(OC)c1C)/N=C(\C)OC
InChIInChI=1S/C22H27FN4O2/c1-6-7-18(27-15(3)28-4)13-26-22(24)19-10-16(11-21(29-5)14(19)2)20-9-8-17(23)12-25-20/h7-12H,6,13H2,1-5H3,(H2,24,26)/b18-7+,27-15+
InChIKeyYQAJZHJLZJNXPA-OHIWQRMXSA-N
MW398.48 g/mol
LogP4.27
Rot. Bonds7

About methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate

methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate (PubChem CID 155354196) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate.

Molecular Properties

Compound Namemethyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate
PubChem CID155354196
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Namemethyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate
SMILESCC/C=C(C/N=C(\N)c1cc(-c2ccc(F)cn2)cc(OC)c1C)/N=C(\C)OC
InChIInChI=1S/C22H27FN4O2/c1-6-7-18(27-15(3)28-4)13-26-22(24)19-10-16(11-21(29-5)14(19)2)20-9-8-17(23)12-25-20/h7-12H,6,13H2,1-5H3,(H2,24,26)/b18-7+,27-15+
InChIKeyYQAJZHJLZJNXPA-OHIWQRMXSA-N
XLogP4.27
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate 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

3-methoxy-2-methyl-5-(5-methyl-2-pyridinyl)-N'-[(E)-3-(propan-2-ylideneamino)oxyhex-3-en-2-yl]benzenecarboximidamide
CID 155728683
5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methyl-N'-[(6-methyl-3-pyridinyl)methyl]-N-[(E)-pent-1-enyl]benzenecarboximidamide
CID 155728742
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(Z)-2-[(Z)-2-methoxyprop-1-enyl]pent-2-enyl]quinazolin-4-amine
CID 155728631
5-(4-fluorophenyl)-3-methoxy-2-methyl-N'-[4-methyl-3-[(3Z,5E,6Z)-8-methyl-5-prop-2-enylidenedeca-3,6-dien-4-yl]iminohexan-2-yl]benzenecarboximidamide
CID 155728691
N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 20781185
[2-[N'-(3-hydroxybut-3-en-2-yl)carbamimidoyl]-6-methoxy-4-(5-methyl-2-pyridinyl)phenyl] cyanate;propan-2-imine
CID 155728178
2-[5-fluoro-4-(2-methoxy-4-pyridinyl)-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
CID 167518459
N-[(E)-but-1-enyl]-3-methoxy-2-methyl-N'-[(3Z,5E)-5-methyl-2-methylideneocta-3,5-dienyl]-5-(5-methyl-1,3-thiazol-2-yl)benzenecarboximidamide
CID 155364776
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
N-[(E)-but-1-enyl]-5-(4-fluorophenyl)-3-methoxy-2-methyl-N'-(6-methyl-2-oxooctan-3-yl)benzenecarboximidamide
CID 155728416
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
[6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-yl]hydrazine
CID 112586149

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate?
The IUPAC name of methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate (CID 155354196) is methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate.
What is the SMILES notation for methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate?
The canonical SMILES for methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate is CC/C=C(C/N=C(\N)c1cc(-c2ccc(F)cn2)cc(OC)c1C)/N=C(\C)OC.
What is the InChIKey of methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate?
The InChIKey is YQAJZHJLZJNXPA-OHIWQRMXSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-6-7-18(27-15(3)28-4)13-26-22(24)19-10-16(11-21(29-5)14(19)2)20-9-8-17(23)12-25-20/h7-12H,6,13H2,1-5H3,(H2,24,26)/b18-7+,27-15+.
What are the key properties of methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate?
methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate has a molecular weight of 398.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-1-[[amino-[5-(5-fluoro-2-pyridinyl)-3-methoxy-2-methylphenyl]methylidene]amino]pent-2-en-2-yl]ethanimidate is sourced from PubChem (CID 155354196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).