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

C15H15N3O3 — CID 20872722

IUPAC[(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-20-14-7-5-13(6-8-14)18-15(19)21-17-11-12-4-3-9-16-10-12/h3-11H,2H2,1H3,(H,18,19)/b17-11+
InChIKeyLKOKEOYUZBYMCC-GZTJUZNOSA-N
MW285.30 g/mol
LogP3.06
Rot. Bonds5

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

[(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate (PubChem CID 20872722) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate
PubChem CID20872722
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-20-14-7-5-13(6-8-14)18-15(19)21-17-11-12-4-3-9-16-10-12/h3-11H,2H2,1H3,(H,18,19)/b17-11+
InChIKeyLKOKEOYUZBYMCC-GZTJUZNOSA-N
XLogP3.06
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 742765
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788

Frequently Asked Questions

What is the IUPAC name of [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate?
The IUPAC name of [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate (CID 20872722) is [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate.
What is the SMILES notation for [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate is CCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1.
What is the InChIKey of [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate?
The InChIKey is LKOKEOYUZBYMCC-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-20-14-7-5-13(6-8-14)18-15(19)21-17-11-12-4-3-9-16-10-12/h3-11H,2H2,1H3,(H,18,19)/b17-11+.
What are the key properties of [(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate?
[(E)-pyridin-3-ylmethylideneamino] N-(4-ethoxyphenyl)carbamate has a molecular weight of 285.30 g/mol, XLogP of 3.06, 5 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-ethoxyphenyl)carbamate is sourced from PubChem (CID 20872722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).