N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide

C20H17N3O2 — CID 51042560

IUPACN-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C20H17N3O2/c1-15-2-6-18(7-3-15)25-19-8-4-16(5-9-19)14-22-23-20(24)17-10-12-21-13-11-17/h2-14H,1H3,(H,23,24)/b22-14+
InChIKeyRPYCSKXTOAOQEP-HYARGMPZSA-N
MW331.38 g/mol
LogP3.95
Rot. Bonds5

About N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 51042560) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID51042560
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccc(Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C20H17N3O2/c1-15-2-6-18(7-3-15)25-19-8-4-16(5-9-19)14-22-23-20(24)17-10-12-21-13-11-17/h2-14H,1H3,(H,23,24)/b22-14+
InChIKeyRPYCSKXTOAOQEP-HYARGMPZSA-N
XLogP3.95
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.95
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-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191415
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6877302
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide (CID 51042560) is N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide is Cc1ccc(Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is RPYCSKXTOAOQEP-HYARGMPZSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-15-2-6-18(7-3-15)25-19-8-4-16(5-9-19)14-22-23-20(24)17-10-12-21-13-11-17/h2-14H,1H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 51042560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).