N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine

C23H23FN2 — CID 126636708

IUPACN-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine
SMILESC=C1C=C(NC(=C)c2ccc(C)cc2Cc2ccc(C)cc2F)C=CN1
InChIInChI=1S/C23H23FN2/c1-15-6-8-22(18(4)26-21-9-10-25-17(3)13-21)20(11-15)14-19-7-5-16(2)12-23(19)24/h5-13,25-26H,3-4,14H2,1-2H3
InChIKeyVCWALLVSTSKNAZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.11
Rot. Bonds5

About N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine

N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine (PubChem CID 126636708) has the molecular formula C23H23FN2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine.

Molecular Properties

Compound NameN-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine
PubChem CID126636708
Molecular FormulaC23H23FN2
Molecular Weight346.45 g/mol
Exact Mass346.18
IUPAC NameN-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine
SMILESC=C1C=C(NC(=C)c2ccc(C)cc2Cc2ccc(C)cc2F)C=CN1
InChIInChI=1S/C23H23FN2/c1-15-6-8-22(18(4)26-21-9-10-25-17(3)13-21)20(11-15)14-19-7-5-16(2)12-23(19)24/h5-13,25-26H,3-4,14H2,1-2H3
InChIKeyVCWALLVSTSKNAZ-UHFFFAOYSA-N
XLogP5.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine?
The IUPAC name of N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine (CID 126636708) is N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine.
What is the SMILES notation for N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine?
The canonical SMILES for N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine is C=C1C=C(NC(=C)c2ccc(C)cc2Cc2ccc(C)cc2F)C=CN1.
What is the InChIKey of N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine?
The InChIKey is VCWALLVSTSKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2/c1-15-6-8-22(18(4)26-21-9-10-25-17(3)13-21)20(11-15)14-19-7-5-16(2)12-23(19)24/h5-13,25-26H,3-4,14H2,1-2H3.
What are the key properties of N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine?
N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine has a molecular weight of 346.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine is sourced from PubChem (CID 126636708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).