N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide

C14H12ClN3O2 — CID 689201

IUPACN-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)c1cccnc1
InChIInChI=1S/C14H12ClN3O2/c1-20-13-5-4-12(15)7-11(13)9-17-18-14(19)10-3-2-6-16-8-10/h2-9H,1H3,(H,18,19)
InChIKeyAPWIMMGOGQJIEH-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.51
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 689201) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID689201
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C=NNC(=O)c1cccnc1
InChIInChI=1S/C14H12ClN3O2/c1-20-13-5-4-12(15)7-11(13)9-17-18-14(19)10-3-2-6-16-8-10/h2-9H,1H3,(H,18,19)
InChIKeyAPWIMMGOGQJIEH-UHFFFAOYSA-N
XLogP2.51
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.51
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

[2-methoxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 6092031
[2-methoxy-4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzenesulfonate
CID 3622607
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135781803
N-[(Z)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 126107154
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 6880817
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
N-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 3295134
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-3-carboxamide;methanol
CID 139204410
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 689201) is N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide is COc1ccc(Cl)cc1C=NNC(=O)c1cccnc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is APWIMMGOGQJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-20-13-5-4-12(15)7-11(13)9-17-18-14(19)10-3-2-6-16-8-10/h2-9H,1H3,(H,18,19).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 689201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).