N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide

C25H26N4O5 — CID 87141318

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
SMILESCOc1ccc(/C=C/NC=O)cc1.COc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C15H15N3O3.C10H11NO2/c1-20-13-4-3-11(9-14(13)21-2)10-17-18-15(19)12-5-7-16-8-6-12;1-13-10-4-2-9(3-5-10)6-7-11-8-12/h3-10H,1-2H3,(H,18,19);2-8H,1H3,(H,11,12)/b17-10+;7-6+
InChIKeyQDOFXMVDFACQAP-ZQPBOOIGSA-N
MW462.51 g/mol
LogP3.27
Rot. Bonds9

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide (PubChem CID 87141318) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
PubChem CID87141318
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
SMILESCOc1ccc(/C=C/NC=O)cc1.COc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C15H15N3O3.C10H11NO2/c1-20-13-4-3-11(9-14(13)21-2)10-17-18-15(19)12-5-7-16-8-6-12;1-13-10-4-2-9(3-5-10)6-7-11-8-12/h3-10H,1-2H3,(H,18,19);2-8H,1H3,(H,11,12)/b17-10+;7-6+
InChIKeyQDOFXMVDFACQAP-ZQPBOOIGSA-N
XLogP3.27
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
tert-butyl [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] carbonate
CID 45109190
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
[3-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4566791
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-[3-oxo-3-(2-oxohydrazinyl)prop-1-enyl]benzamide
CID 123708246

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide (CID 87141318) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide is COc1ccc(/C=C/NC=O)cc1.COc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide?
The InChIKey is QDOFXMVDFACQAP-ZQPBOOIGSA-N. The full InChI is InChI=1S/C15H15N3O3.C10H11NO2/c1-20-13-4-3-11(9-14(13)21-2)10-17-18-15(19)12-5-7-16-8-6-12;1-13-10-4-2-9(3-5-10)6-7-11-8-12/h3-10H,1-2H3,(H,18,19);2-8H,1H3,(H,11,12)/b17-10+;7-6+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide has a molecular weight of 462.51 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide is sourced from PubChem (CID 87141318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).