N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

C13H9Cl2N3O2 — CID 135409975

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1
InChIInChI=1S/C13H9Cl2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+
InChIKeyLKSNAGMUEYRBPX-REZTVBANSA-N
MW310.14 g/mol
LogP2.86
Rot. Bonds3

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135409975) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID135409975
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1
InChIInChI=1S/C13H9Cl2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+
InChIKeyLKSNAGMUEYRBPX-REZTVBANSA-N
XLogP2.86
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Salinazid
CID 135400471
Flavoteben
CID 135400468
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 135458873
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135533081
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
Acroteben
CID 5351737
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705
(E)-5-bromo-6-chloro-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)nicotinohydrazide
CID 136264446
(E)-5-chloro-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)nicotinohydrazide
CID 136264447
N-[[1-(5-chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide
CID 231422
(E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one
CID 5804056

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 135409975) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccncc1.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is LKSNAGMUEYRBPX-REZTVBANSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 310.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135409975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).