2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide

C25H28N4O3 — CID 27783158

IUPAC2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C25H28N4O3/c1-5-32-20-10-8-19(9-11-20)28-24-21(7-6-12-26-24)25(31)27-15-22(30)29-23-17(3)13-16(2)14-18(23)4/h6-14H,5,15H2,1-4H3,(H,26,28)(H,27,31)(H,29,30)
InChIKeyDCEWGRATKGSEQL-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.52
Rot. Bonds8

About 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide

2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 27783158) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
PubChem CID27783158
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C25H28N4O3/c1-5-32-20-10-8-19(9-11-20)28-24-21(7-6-12-26-24)25(31)27-15-22(30)29-23-17(3)13-16(2)14-18(23)4/h6-14H,5,15H2,1-4H3,(H,26,28)(H,27,31)(H,29,30)
InChIKeyDCEWGRATKGSEQL-UHFFFAOYSA-N
XLogP4.52
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 55993721
4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 71910889
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 55308156
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967523

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide (CID 27783158) is 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide is CCOc1ccc(Nc2ncccc2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is DCEWGRATKGSEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-5-32-20-10-8-19(9-11-20)28-24-21(7-6-12-26-24)25(31)27-15-22(30)29-23-17(3)13-16(2)14-18(23)4/h6-14H,5,15H2,1-4H3,(H,26,28)(H,27,31)(H,29,30).
What are the key properties of 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide?
2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 27783158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).