N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide

C14H12ClN3O — CID 727974

IUPACN-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-13-5-3-11(4-6-13)10-17-18-14(19)8-12-2-1-7-16-9-12/h1-7,9-10H,8H2,(H,18,19)
InChIKeyFFUMGSCNPIICFS-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.43
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide

N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide (PubChem CID 727974) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
PubChem CID727974
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-13-5-3-11(4-6-13)10-17-18-14(19)8-12-2-1-7-16-9-12/h1-7,9-10H,8H2,(H,18,19)
InChIKeyFFUMGSCNPIICFS-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

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941
2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 90766440
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398291
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide (CID 727974) is N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
The InChIKey is FFUMGSCNPIICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-13-5-3-11(4-6-13)10-17-18-14(19)8-12-2-1-7-16-9-12/h1-7,9-10H,8H2,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide 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 N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 727974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).