chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

C16H16Cl3N3O3 — CID 139060030

IUPACchloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccncc2)c1OC.ClC(Cl)Cl
InChIInChI=1S/C15H15N3O3.CHCl3/c1-20-13-5-3-4-12(14(13)21-2)10-17-18-15(19)11-6-8-16-9-7-11;2-1(3)4/h3-10H,1-2H3,(H,18,19);1H/b17-10+;
InChIKeyYHVBEDMZEXEPDY-LZMXEPDESA-N
MW404.68 g/mol
LogP3.85
Rot. Bonds5

About chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 139060030) has the molecular formula C16H16Cl3N3O3 and a molecular weight of 404.68 g/mol. Its IUPAC name is chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound Namechloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID139060030
Molecular FormulaC16H16Cl3N3O3
Molecular Weight404.68 g/mol
Exact Mass403.03
IUPAC Namechloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccncc2)c1OC.ClC(Cl)Cl
InChIInChI=1S/C15H15N3O3.CHCl3/c1-20-13-5-3-4-12(14(13)21-2)10-17-18-15(19)11-6-8-16-9-7-11;2-1(3)4/h3-10H,1-2H3,(H,18,19);1H/b17-10+;
InChIKeyYHVBEDMZEXEPDY-LZMXEPDESA-N
XLogP3.85
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
[2-methoxy-6-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6138569
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 126095162
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070793

Frequently Asked Questions

What is the IUPAC name of chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 139060030) is chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cccc(/C=N/NC(=O)c2ccncc2)c1OC.ClC(Cl)Cl.
What is the InChIKey of chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is YHVBEDMZEXEPDY-LZMXEPDESA-N. The full InChI is InChI=1S/C15H15N3O3.CHCl3/c1-20-13-5-3-4-12(14(13)21-2)10-17-18-15(19)11-6-8-16-9-7-11;2-1(3)4/h3-10H,1-2H3,(H,18,19);1H/b17-10+;.
What are the key properties of chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 404.68 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 139060030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).