N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide

C15H15ClN3O+ — CID 4506221

IUPACN-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESCC(=NNC(=O)C[n+]1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-12(13-7-3-4-8-14(13)16)17-18-15(20)11-19-9-5-2-6-10-19/h2-10H,11H2,1H3/p+1
InChIKeyIFYMOGKRNMKTBJ-UHFFFAOYSA-O
MW288.76 g/mol
LogP2.17
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide

N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide (PubChem CID 4506221) has the molecular formula C15H15ClN3O+ and a molecular weight of 288.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
PubChem CID4506221
Molecular FormulaC15H15ClN3O+
Molecular Weight288.76 g/mol
Exact Mass288.09
IUPAC NameN-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESCC(=NNC(=O)C[n+]1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O/c1-12(13-7-3-4-8-14(13)16)17-18-15(20)11-19-9-5-2-6-10-19/h2-10H,11H2,1H3/p+1
InChIKeyIFYMOGKRNMKTBJ-UHFFFAOYSA-O
XLogP2.17
TPSA45.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 136762982
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6132667
N-[(E)-1-(3-methylquinoxalin-2-yl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 43835788
[4-[C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]phenyl] acetate
CID 4506218
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506053
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-3-hydroxypropanamide
CID 10467567
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
CID 135418705
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide (CID 4506221) is N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide is CC(=NNC(=O)C[n+]1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is IFYMOGKRNMKTBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14ClN3O/c1-12(13-7-3-4-8-14(13)16)17-18-15(20)11-19-9-5-2-6-10-19/h2-10H,11H2,1H3/p+1.
What are the key properties of N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 288.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 4506221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).