6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide

C21H18ClN3O2 — CID 134816636

IUPAC6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C21H18ClN3O2/c1-14-19(11-12-20(24-14)16-5-7-17(22)8-6-16)21(26)25-23-13-15-3-9-18(27-2)10-4-15/h3-13H,1-2H3,(H,25,26)/b23-13+
InChIKeyHTZDZULHQCMXOW-YDZHTSKRSA-N
MW379.85 g/mol
LogP4.48
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide

6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide (PubChem CID 134816636) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
PubChem CID134816636
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C21H18ClN3O2/c1-14-19(11-12-20(24-14)16-5-7-17(22)8-6-16)21(26)25-23-13-15-3-9-18(27-2)10-4-15/h3-13H,1-2H3,(H,25,26)/b23-13+
InChIKeyHTZDZULHQCMXOW-YDZHTSKRSA-N
XLogP4.48
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide (CID 134816636) is 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide is COc1ccc(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3)nc2C)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
The InChIKey is HTZDZULHQCMXOW-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-19(11-12-20(24-14)16-5-7-17(22)8-6-16)21(26)25-23-13-15-3-9-18(27-2)10-4-15/h3-13H,1-2H3,(H,25,26)/b23-13+.
What are the key properties of 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide?
6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 134816636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).