N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C20H15Cl2N3O2 — CID 1022163

IUPACN-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccncc1
InChIInChI=1S/C20H15Cl2N3O2/c21-18-2-1-3-19(22)17(18)13-27-16-6-4-14(5-7-16)12-24-25-20(26)15-8-10-23-11-9-15/h1-12H,13H2,(H,25,26)
InChIKeyPBHJVIJBWUJRCT-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.73
Rot. Bonds6

About N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 1022163) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID1022163
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC NameN-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccncc1
InChIInChI=1S/C20H15Cl2N3O2/c21-18-2-1-3-19(22)17(18)13-27-16-6-4-14(5-7-16)12-24-25-20(26)15-8-10-23-11-9-15/h1-12H,13H2,(H,25,26)
InChIKeyPBHJVIJBWUJRCT-UHFFFAOYSA-N
XLogP4.73
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.73
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

N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N'-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19661089
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 1022163) is N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccncc1.
What is the InChIKey of N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is PBHJVIJBWUJRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c21-18-2-1-3-19(22)17(18)13-27-16-6-4-14(5-7-16)12-24-25-20(26)15-8-10-23-11-9-15/h1-12H,13H2,(H,25,26).
What are the key properties of N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 1022163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).