2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine

C20H23F3N4O — CID 67491572

IUPAC2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine
SMILESCc1cccc(C=NNc2c(F)c(F)nc(OCCN3CCCCC3)c2F)c1
InChIInChI=1S/C20H23F3N4O/c1-14-6-5-7-15(12-14)13-24-26-18-16(21)19(23)25-20(17(18)22)28-11-10-27-8-3-2-4-9-27/h5-7,12-13H,2-4,8-11H2,1H3,(H,25,26)
InChIKeyJCCOOCXKSZQDNV-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.12
Rot. Bonds7

About 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine

2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine (PubChem CID 67491572) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine
PubChem CID67491572
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine
SMILESCc1cccc(C=NNc2c(F)c(F)nc(OCCN3CCCCC3)c2F)c1
InChIInChI=1S/C20H23F3N4O/c1-14-6-5-7-15(12-14)13-24-26-18-16(21)19(23)25-20(17(18)22)28-11-10-27-8-3-2-4-9-27/h5-7,12-13H,2-4,8-11H2,1H3,(H,25,26)
InChIKeyJCCOOCXKSZQDNV-UHFFFAOYSA-N
XLogP4.12
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)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 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine?
The IUPAC name of 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine (CID 67491572) is 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine.
What is the SMILES notation for 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine?
The canonical SMILES for 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine is Cc1cccc(C=NNc2c(F)c(F)nc(OCCN3CCCCC3)c2F)c1.
What is the InChIKey of 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine?
The InChIKey is JCCOOCXKSZQDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-14-6-5-7-15(12-14)13-24-26-18-16(21)19(23)25-20(17(18)22)28-11-10-27-8-3-2-4-9-27/h5-7,12-13H,2-4,8-11H2,1H3,(H,25,26).
What are the key properties of 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine?
2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine has a molecular weight of 392.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-[(3-methylphenyl)methylideneamino]-6-(2-piperidin-1-ylethoxy)pyridin-4-amine is sourced from PubChem (CID 67491572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).