[(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate

C22H29N3O3 — CID 20872725

IUPAC[(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1
InChIInChI=1S/C22H29N3O3/c1-2-3-4-5-6-7-8-16-27-21-13-11-20(12-14-21)25-22(26)28-24-18-19-10-9-15-23-17-19/h9-15,17-18H,2-8,16H2,1H3,(H,25,26)/b24-18+
InChIKeyRFGNIDWOPNTRMD-HKOYGPOVSA-N
MW383.49 g/mol
LogP5.79
Rot. Bonds12

About [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate

[(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate (PubChem CID 20872725) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate
PubChem CID20872725
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate
SMILESCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1
InChIInChI=1S/C22H29N3O3/c1-2-3-4-5-6-7-8-16-27-21-13-11-20(12-14-21)25-22(26)28-24-18-19-10-9-15-23-17-19/h9-15,17-18H,2-8,16H2,1H3,(H,25,26)/b24-18+
InChIKeyRFGNIDWOPNTRMD-HKOYGPOVSA-N
XLogP5.79
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate 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)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate?
The IUPAC name of [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate (CID 20872725) is [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate.
What is the SMILES notation for [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate?
The canonical SMILES for [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate is CCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1.
What is the InChIKey of [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate?
The InChIKey is RFGNIDWOPNTRMD-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-3-4-5-6-7-8-16-27-21-13-11-20(12-14-21)25-22(26)28-24-18-19-10-9-15-23-17-19/h9-15,17-18H,2-8,16H2,1H3,(H,25,26)/b24-18+.
What are the key properties of [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate?
[(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate has a molecular weight of 383.49 g/mol, XLogP of 5.79, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pyridin-3-ylmethylideneamino] N-(4-nonoxyphenyl)carbamate is sourced from PubChem (CID 20872725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).