N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine

C14H14FN3O — CID 70105498

IUPACN-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine
SMILESCOc1ccc(CC=NNc2ccncc2)cc1F
InChIInChI=1S/C14H14FN3O/c1-19-14-3-2-11(10-13(14)15)4-9-17-18-12-5-7-16-8-6-12/h2-3,5-10H,4H2,1H3,(H,16,18)
InChIKeyBVSBLLYYYMJLBD-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine

N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine (PubChem CID 70105498) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine
PubChem CID70105498
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine
SMILESCOc1ccc(CC=NNc2ccncc2)cc1F
InChIInChI=1S/C14H14FN3O/c1-19-14-3-2-11(10-13(14)15)4-9-17-18-12-5-7-16-8-6-12/h2-3,5-10H,4H2,1H3,(H,16,18)
InChIKeyBVSBLLYYYMJLBD-UHFFFAOYSA-N
XLogP2.87
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxy-3-methylphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
CID 70106120
N-[(E)-2-(2-fluoro-5-methoxyphenyl)ethylideneamino]pyridin-4-amine;hydrochloride
CID 19595270
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 86777077
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
4-(5-chloropent-2-enyl)-2-fluoro-1-methoxybenzene
CID 79603773
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine (CID 70105498) is N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine is COc1ccc(CC=NNc2ccncc2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine?
The InChIKey is BVSBLLYYYMJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-19-14-3-2-11(10-13(14)15)4-9-17-18-12-5-7-16-8-6-12/h2-3,5-10H,4H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine?
N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine has a molecular weight of 259.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine is sourced from PubChem (CID 70105498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).