[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate

C20H17N3O3 — CID 5340818

IUPAC[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H17N3O3/c1-25-18-9-7-17(8-10-18)22-20(24)26-23-19(15-5-3-2-4-6-15)16-11-13-21-14-12-16/h2-14H,1H3,(H,22,24)/b23-19+
InChIKeyHBSPPPYVMAUNGN-FCDQGJHFSA-N
MW347.37 g/mol
LogP4.09
Rot. Bonds5

About [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate

[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate (PubChem CID 5340818) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
PubChem CID5340818
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C20H17N3O3/c1-25-18-9-7-17(8-10-18)22-20(24)26-23-19(15-5-3-2-4-6-15)16-11-13-21-14-12-16/h2-14H,1H3,(H,22,24)/b23-19+
InChIKeyHBSPPPYVMAUNGN-FCDQGJHFSA-N
XLogP4.09
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.09
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'}

Analyze [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
CID 75034418
N-(benzhydrylideneamino)hydroxylamine;4-methoxypyridine
CID 161458787
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
CID 748240
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
[(E)-[2-methyl-1-(3-phenylsulfanylphenyl)propylidene]amino] N-pyridin-4-ylcarbamate
CID 172945275
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641

Frequently Asked Questions

What is the IUPAC name of [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate?
The IUPAC name of [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate (CID 5340818) is [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate?
The InChIKey is HBSPPPYVMAUNGN-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-18-9-7-17(8-10-18)22-20(24)26-23-19(15-5-3-2-4-6-15)16-11-13-21-14-12-16/h2-14H,1H3,(H,22,24)/b23-19+.
What are the key properties of [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate?
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate has a molecular weight of 347.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 5340818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).