(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine

C21H24N6O2 — CID 118975036

IUPAC(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1ccc(C)cc1)c1ccc(OCc2nnnn2CC2CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-15-3-5-18(6-4-15)13-29-24-16(2)19-9-10-21(22-11-19)28-14-20-23-25-26-27(20)12-17-7-8-17/h3-6,9-11,17H,7-8,12-14H2,1-2H3/b24-16+
InChIKeyCDQKHWHBDFEXMI-LFVJCYFKSA-N
MW392.46 g/mol
LogP3.31
Rot. Bonds9

About (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine

(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine (PubChem CID 118975036) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine
PubChem CID118975036
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1ccc(C)cc1)c1ccc(OCc2nnnn2CC2CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-15-3-5-18(6-4-15)13-29-24-16(2)19-9-10-21(22-11-19)28-14-20-23-25-26-27(20)12-17-7-8-17/h3-6,9-11,17H,7-8,12-14H2,1-2H3/b24-16+
InChIKeyCDQKHWHBDFEXMI-LFVJCYFKSA-N
XLogP3.31
TPSA87.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine 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 (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine (CID 118975036) is (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine is C/C(=N\OCc1ccc(C)cc1)c1ccc(OCc2nnnn2CC2CC2)nc1.
What is the InChIKey of (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine?
The InChIKey is CDQKHWHBDFEXMI-LFVJCYFKSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-3-5-18(6-4-15)13-29-24-16(2)19-9-10-21(22-11-19)28-14-20-23-25-26-27(20)12-17-7-8-17/h3-6,9-11,17H,7-8,12-14H2,1-2H3/b24-16+.
What are the key properties of (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine?
(E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine has a molecular weight of 392.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[[1-(cyclopropylmethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]-N-[(4-methylphenyl)methoxy]ethanimine is sourced from PubChem (CID 118975036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).