N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide

C14H14ClN3O — CID 44591451

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide
SMILESCN1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1
InChIInChI=1S/C14H14ClN3O/c1-18-8-6-11(7-9-18)14(19)17-16-10-12-4-2-3-5-13(12)15/h2-11H,1H3,(H,17,19)/b16-10+
InChIKeyTZDCDXSRLZNHAN-MHWRWJLKSA-N
MW275.74 g/mol
LogP2.38
Rot. Bonds3

About N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide (PubChem CID 44591451) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide
PubChem CID44591451
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide
SMILESCN1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1
InChIInChI=1S/C14H14ClN3O/c1-18-8-6-11(7-9-18)14(19)17-16-10-12-4-2-3-5-13(12)15/h2-11H,1H3,(H,17,19)/b16-10+
InChIKeyTZDCDXSRLZNHAN-MHWRWJLKSA-N
XLogP2.38
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.38
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)-(2-chloro-6-fluorophenyl)methylidene]cyclopropanecarbohydrazide
CID 5334886
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N'-[(4-chlorophenyl)methylene]-2-cyanoacetohydrazide
CID 6899042
N'-[(4-chlorophenyl)methylene]-2-cyano-3-(dimethylamino)acrylohydrazide
CID 9611590
N'-[(E)-(2-chlorophenyl)methylidene]-2-cyanoacetohydrazide
CID 6883998
Acetic acid, (2,6-dichlorobenzylidene)hydrazide
CID 9554212
Acetic acid, aminooxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6907742
Acetic acid, (2,4-dichlorobenzylidene)hydrazide
CID 9578577
Isobutyric acid, (2,4-dichlorobenzylidene)hydrazide
CID 9578578
Acetic acid, (methylthio)-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589033
Propanoic acid, 2,2-dimethyl-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589045
Acetic acid, mercapto-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 9589060

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide (CID 44591451) is N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide is CN1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide?
The InChIKey is TZDCDXSRLZNHAN-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-8-6-11(7-9-18)14(19)17-16-10-12-4-2-3-5-13(12)15/h2-11H,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-1-methyl-4H-pyridine-4-carboxamide is sourced from PubChem (CID 44591451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).