2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide

C14H12ClN3O — CID 90766440

IUPAC2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NN=Cc1ccncc1
InChIInChI=1S/C14H12ClN3O/c15-13-3-1-2-12(8-13)9-14(19)18-17-10-11-4-6-16-7-5-11/h1-8,10H,9H2,(H,18,19)
InChIKeyZQIMCWWQNZEGHF-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide

2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide (PubChem CID 90766440) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
PubChem CID90766440
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NN=Cc1ccncc1
InChIInChI=1S/C14H12ClN3O/c15-13-3-1-2-12(8-13)9-14(19)18-17-10-11-4-6-16-7-5-11/h1-8,10H,9H2,(H,18,19)
InChIKeyZQIMCWWQNZEGHF-UHFFFAOYSA-N
XLogP2.43
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 110525442
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 727974
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 867441

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide (CID 90766440) is 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide is O=C(Cc1cccc(Cl)c1)NN=Cc1ccncc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide?
The InChIKey is ZQIMCWWQNZEGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-13-3-1-2-12(8-13)9-14(19)18-17-10-11-4-6-16-7-5-11/h1-8,10H,9H2,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide?
2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide has a molecular weight of 273.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide is sourced from PubChem (CID 90766440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).