[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate

C19H23N3O3 — CID 16539849

IUPAC[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCCN(c1ccc(NC(=O)COC(=O)c2ccccn2)cc1)C(C)C
InChIInChI=1S/C19H23N3O3/c1-4-22(14(2)3)16-10-8-15(9-11-16)21-18(23)13-25-19(24)17-7-5-6-12-20-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyQJTUZFWWIBWOOC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.11
Rot. Bonds7

About [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 16539849) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID16539849
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCCN(c1ccc(NC(=O)COC(=O)c2ccccn2)cc1)C(C)C
InChIInChI=1S/C19H23N3O3/c1-4-22(14(2)3)16-10-8-15(9-11-16)21-18(23)13-25-19(24)17-7-5-6-12-20-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyQJTUZFWWIBWOOC-UHFFFAOYSA-N
XLogP3.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46519873
[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] 5-methyl-2-phenyltriazole-4-carboxylate
CID 46794220
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3568581
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 46558813
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 16518098
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
[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] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 55502829
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] pyridine-2-carboxylate
CID 7866583
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118695

Frequently Asked Questions

What is the IUPAC name of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate (CID 16539849) is [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate is CCN(c1ccc(NC(=O)COC(=O)c2ccccn2)cc1)C(C)C.
What is the InChIKey of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is QJTUZFWWIBWOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-22(14(2)3)16-10-8-15(9-11-16)21-18(23)13-25-19(24)17-7-5-6-12-20-17/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.11, 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] pyridine-2-carboxylate is sourced from PubChem (CID 16539849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).