6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide

C21H18ClN3O3 — CID 167451022

IUPAC6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(-c3ccc(Cl)cc3)n2)cc(OC)c1
InChIInChI=1S/C21H18ClN3O3/c1-27-17-10-14(11-18(12-17)28-2)13-23-25-21(26)20-5-3-4-19(24-20)15-6-8-16(22)9-7-15/h3-13H,1-2H3,(H,25,26)/b23-13+
InChIKeyZKEAGWZXQLAUCY-YDZHTSKRSA-N
MW395.85 g/mol
LogP4.18
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide

6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 167451022) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID167451022
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(-c3ccc(Cl)cc3)n2)cc(OC)c1
InChIInChI=1S/C21H18ClN3O3/c1-27-17-10-14(11-18(12-17)28-2)13-23-25-21(26)20-5-3-4-19(24-20)15-6-8-16(22)9-7-15/h3-13H,1-2H3,(H,25,26)/b23-13+
InChIKeyZKEAGWZXQLAUCY-YDZHTSKRSA-N
XLogP4.18
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.18
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-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 167451113
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575
N-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559849
6-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 174239578
N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 175559898

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 167451022) is 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide is COc1cc(/C=N/NC(=O)c2cccc(-c3ccc(Cl)cc3)n2)cc(OC)c1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is ZKEAGWZXQLAUCY-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-27-17-10-14(11-18(12-17)28-2)13-23-25-21(26)20-5-3-4-19(24-20)15-6-8-16(22)9-7-15/h3-13H,1-2H3,(H,25,26)/b23-13+.
What are the key properties of 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 167451022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).