[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate

C14H11ClN2O2 — CID 71948520

IUPAC[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
SMILESCC(=O)ON=C(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-10(18)19-17-14(12-6-8-16-9-7-12)11-2-4-13(15)5-3-11/h2-9H,1H3
InChIKeyDLMXURKBMKTWHY-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.05
Rot. Bonds3

About [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate

[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate (PubChem CID 71948520) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate.

Molecular Properties

Compound Name[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
PubChem CID71948520
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
SMILESCC(=O)ON=C(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-10(18)19-17-14(12-6-8-16-9-7-12)11-2-4-13(15)5-3-11/h2-9H,1H3
InChIKeyDLMXURKBMKTWHY-UHFFFAOYSA-N
XLogP3.05
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate 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-pyridin-4-ylethylideneamino) acetate
CID 585758
[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
CID 43915241
[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
[(E)-[chloro-(4-methoxyphenyl)methylidene]amino] acetate
CID 88820123
propan-2-one;pyridine-4-carboxamide
CID 174689468
(Z)-2-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 58772861
1-(4-chlorophenyl)-3-(dimethylamino)-2-pyridin-4-ylprop-2-en-1-one
CID 54077613
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
N-[(E)-[1-(4-chloroanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
CID 164622542

Frequently Asked Questions

What is the IUPAC name of [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate?
The IUPAC name of [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate (CID 71948520) is [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate.
What is the SMILES notation for [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate?
The canonical SMILES for [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate is CC(=O)ON=C(c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate?
The InChIKey is DLMXURKBMKTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-10(18)19-17-14(12-6-8-16-9-7-12)11-2-4-13(15)5-3-11/h2-9H,1H3.
What are the key properties of [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate?
[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate has a molecular weight of 274.71 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate is sourced from PubChem (CID 71948520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).