N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C23H23N3O4 — CID 3666073

IUPACN-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccccc1OCCCOc1cccc(C=NNC(=O)c2ccncc2)c1
InChIInChI=1S/C23H23N3O4/c1-28-21-8-2-3-9-22(21)30-15-5-14-29-20-7-4-6-18(16-20)17-25-26-23(27)19-10-12-24-13-11-19/h2-4,6-13,16-17H,5,14-15H2,1H3,(H,26,27)
InChIKeyUBAODVKOLUZEOR-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.70
Rot. Bonds10

About N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 3666073) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID3666073
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccccc1OCCCOc1cccc(C=NNC(=O)c2ccncc2)c1
InChIInChI=1S/C23H23N3O4/c1-28-21-8-2-3-9-22(21)30-15-5-14-29-20-7-4-6-18(16-20)17-25-26-23(27)19-10-12-24-13-11-19/h2-4,6-13,16-17H,5,14-15H2,1H3,(H,26,27)
InChIKeyUBAODVKOLUZEOR-UHFFFAOYSA-N
XLogP3.70
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[[3-chloro-4-[3-(2-chlorophenoxy)propoxy]-5-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 3763317
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 5158014
N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6102913
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
[3-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4566791
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514772
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 3666073) is N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is COc1ccccc1OCCCOc1cccc(C=NNC(=O)c2ccncc2)c1.
What is the InChIKey of N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is UBAODVKOLUZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-21-8-2-3-9-22(21)30-15-5-14-29-20-7-4-6-18(16-20)17-25-26-23(27)19-10-12-24-13-11-19/h2-4,6-13,16-17H,5,14-15H2,1H3,(H,26,27).
What are the key properties of N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 3666073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).