N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide

C21H18ClN3O2 — CID 174239513

IUPACN-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(-c2cccc(C(=O)NN=Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-2-27-17-12-10-15(11-13-17)19-8-5-9-20(24-19)21(26)25-23-14-16-6-3-4-7-18(16)22/h3-14H,2H2,1H3,(H,25,26)
InChIKeyHJRGTOKJLSWTBI-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.56
Rot. Bonds6

About N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide

N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 174239513) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID174239513
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(-c2cccc(C(=O)NN=Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-2-27-17-12-10-15(11-13-17)19-8-5-9-20(24-19)21(26)25-23-14-16-6-3-4-7-18(16)22/h3-14H,2H2,1H3,(H,25,26)
InChIKeyHJRGTOKJLSWTBI-UHFFFAOYSA-N
XLogP4.56
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1184922
6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 167451022
N-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 3723066
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 6888557
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
CID 19189673
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
3-(4-ethoxyphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5450226

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 174239513) is N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(-c2cccc(C(=O)NN=Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is HJRGTOKJLSWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-2-27-17-12-10-15(11-13-17)19-8-5-9-20(24-19)21(26)25-23-14-16-6-3-4-7-18(16)22/h3-14H,2H2,1H3,(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-6-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 174239513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).