[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate

C18H20N2O3 — CID 23971941

IUPAC[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)14-4-6-16(7-5-14)20-17(21)13(3)23-18(22)15-8-10-19-11-9-15/h4-13H,1-3H3,(H,20,21)
InChIKeyJUEBCMCCCLZIBP-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.39
Rot. Bonds5

About [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate

[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate (PubChem CID 23971941) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate
PubChem CID23971941
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccncc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)14-4-6-16(7-5-14)20-17(21)13(3)23-18(22)15-8-10-19-11-9-15/h4-13H,1-3H3,(H,20,21)
InChIKeyJUEBCMCCCLZIBP-UHFFFAOYSA-N
XLogP3.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023
[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate
CID 23999801
[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-chloropyridine-4-carboxylate
CID 23999712
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783859
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7671626
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753033
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744361
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2625888
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626127

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate (CID 23971941) is [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate is CC(OC(=O)c1ccncc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate?
The InChIKey is JUEBCMCCCLZIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)14-4-6-16(7-5-14)20-17(21)13(3)23-18(22)15-8-10-19-11-9-15/h4-13H,1-3H3,(H,20,21).
What are the key properties of [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate?
[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 23971941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).