[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate

C20H25N3O3 — CID 46519873

IUPAC[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCCN(c1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-19(24)13-26-20(25)16-7-6-15(4)21-12-16/h6-12,14H,5,13H2,1-4H3,(H,22,24)
InChIKeyDWKSWDMHQJZHNI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.42
Rot. Bonds7

About [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 46519873) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID46519873
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCCN(c1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O3/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-19(24)13-26-20(25)16-7-6-15(4)21-12-16/h6-12,14H,5,13H2,1-4H3,(H,22,24)
InChIKeyDWKSWDMHQJZHNI-UHFFFAOYSA-N
XLogP3.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 3683660
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 55502829
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316710
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535814
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 46793259
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 16539849
4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide
CID 51139815
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118695
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3568581
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18149649
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 16518098

Frequently Asked Questions

What is the IUPAC name of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 46519873) is [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate is CCN(c1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1)C(C)C.
What is the InChIKey of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is DWKSWDMHQJZHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-19(24)13-26-20(25)16-7-6-15(4)21-12-16/h6-12,14H,5,13H2,1-4H3,(H,22,24).
What are the key properties of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 46519873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).