6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide

C23H25N3O3 — CID 109160931

IUPAC6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(Nc3ccc(C)c(C)c3)nc2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-6-19(14-17(16)2)26-22-11-5-18(15-25-22)23(27)24-12-13-29-21-9-7-20(28-3)8-10-21/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZUKXJLAJWYCAPU-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.26
Rot. Bonds8

About 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide

6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 109160931) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID109160931
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(Nc3ccc(C)c(C)c3)nc2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-6-19(14-17(16)2)26-22-11-5-18(15-25-22)23(27)24-12-13-29-21-9-7-20(28-3)8-10-21/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZUKXJLAJWYCAPU-UHFFFAOYSA-N
XLogP4.26
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124675
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide (CID 109160931) is 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide is COc1ccc(OCCNC(=O)c2ccc(Nc3ccc(C)c(C)c3)nc2)cc1.
What is the InChIKey of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is ZUKXJLAJWYCAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-6-19(14-17(16)2)26-22-11-5-18(15-25-22)23(27)24-12-13-29-21-9-7-20(28-3)8-10-21/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109160931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).