N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

C15H14ClN3O3 — CID 758167

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C=NNC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C15H14ClN3O3/c1-21-13-7-11(12(16)8-14(13)22-2)9-18-19-15(20)10-3-5-17-6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyDBPGSKBJFQLUQO-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.52
Rot. Bonds5

About N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 758167) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID758167
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C=NNC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C15H14ClN3O3/c1-21-13-7-11(12(16)8-14(13)22-2)9-18-19-15(20)10-3-5-17-6-4-10/h3-9H,1-2H3,(H,19,20)
InChIKeyDBPGSKBJFQLUQO-UHFFFAOYSA-N
XLogP2.52
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 54784589
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 758167) is N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cc(Cl)c(C=NNC(=O)c2ccncc2)cc1OC.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is DBPGSKBJFQLUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-21-13-7-11(12(16)8-14(13)22-2)9-18-19-15(20)10-3-5-17-6-4-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 758167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).