N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C16H15Cl2N3O3 — CID 135641587

IUPACN-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)c2ccc(C)nc2)c1O
InChIInChI=1S/C16H15Cl2N3O3/c1-3-24-13-6-12(17)14(18)11(15(13)22)8-20-21-16(23)10-5-4-9(2)19-7-10/h4-8,22H,3H2,1-2H3,(H,21,23)/b20-8-
InChIKeyMZDPIVBYAUHHQE-ZBKNUEDVSA-N
MW368.22 g/mol
LogP3.57
Rot. Bonds5

About N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 135641587) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID135641587
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)c2ccc(C)nc2)c1O
InChIInChI=1S/C16H15Cl2N3O3/c1-3-24-13-6-12(17)14(18)11(15(13)22)8-20-21-16(23)10-5-4-9(2)19-7-10/h4-8,22H,3H2,1-2H3,(H,21,23)/b20-8-
InChIKeyMZDPIVBYAUHHQE-ZBKNUEDVSA-N
XLogP3.57
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643431
N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 3611587
3-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135590040
2-bromo-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135926011
3-chloro-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135613492
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5416303
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]acetamide
CID 136734200
N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 135629464
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643439
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 135641587) is N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is CCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)c2ccc(C)nc2)c1O.
What is the InChIKey of N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is MZDPIVBYAUHHQE-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-3-24-13-6-12(17)14(18)11(15(13)22)8-20-21-16(23)10-5-4-9(2)19-7-10/h4-8,22H,3H2,1-2H3,(H,21,23)/b20-8-.
What are the key properties of N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135641587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).