N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide

C24H24N4O4 — CID 5442927

IUPACN-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C24H24N4O4/c1-16-4-6-20(12-17(16)2)27-23(29)15-32-21-7-5-18(13-22(21)31-3)14-26-28-24(30)19-8-10-25-11-9-19/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyZNMIMCSLNQKTDR-WGARJPEWSA-N
MW432.48 g/mol
LogP3.49
Rot. Bonds8

About N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 5442927) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID5442927
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C24H24N4O4/c1-16-4-6-20(12-17(16)2)27-23(29)15-32-21-7-5-18(13-22(21)31-3)14-26-28-24(30)19-8-10-25-11-9-19/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30)/b26-14-
InChIKeyZNMIMCSLNQKTDR-WGARJPEWSA-N
XLogP3.49
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
N-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126267734
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514723
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
4-bromo-N-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012619
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126264596
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126158302
N-[(E)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126255223
4-ethoxy-3-methoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126317421
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126019920

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide (CID 5442927) is N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide is COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is ZNMIMCSLNQKTDR-WGARJPEWSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-4-6-20(12-17(16)2)27-23(29)15-32-21-7-5-18(13-22(21)31-3)14-26-28-24(30)19-8-10-25-11-9-19/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30)/b26-14-.
What are the key properties of N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5442927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).