[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate

C15H15N3O3 — CID 23999801

IUPAC[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate
SMILESCC(OC(=O)c1ccc(N)cc1)C(=O)Nc1ccncc1
InChIInChI=1S/C15H15N3O3/c1-10(14(19)18-13-6-8-17-9-7-13)21-15(20)11-2-4-12(16)5-3-11/h2-10H,16H2,1H3,(H,17,18,19)
InChIKeyXMXCRQPANXCUGR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.85
Rot. Bonds4

About [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate

[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate (PubChem CID 23999801) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate.

Molecular Properties

Compound Name[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate
PubChem CID23999801
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate
SMILESCC(OC(=O)c1ccc(N)cc1)C(=O)Nc1ccncc1
InChIInChI=1S/C15H15N3O3/c1-10(14(19)18-13-6-8-17-9-7-13)21-15(20)11-2-4-12(16)5-3-11/h2-10H,16H2,1H3,(H,17,18,19)
InChIKeyXMXCRQPANXCUGR-UHFFFAOYSA-N
XLogP1.85
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781090
[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] pyridine-4-carboxylate
CID 23971941
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7780965
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783859
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7969054
[1-(2-methylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 23773852
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 25034889
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-methylbenzoate
CID 7972023
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate?
The IUPAC name of [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate (CID 23999801) is [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate.
What is the SMILES notation for [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate?
The canonical SMILES for [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate is CC(OC(=O)c1ccc(N)cc1)C(=O)Nc1ccncc1.
What is the InChIKey of [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate?
The InChIKey is XMXCRQPANXCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10(14(19)18-13-6-8-17-9-7-13)21-15(20)11-2-4-12(16)5-3-11/h2-10H,16H2,1H3,(H,17,18,19).
What are the key properties of [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate?
[1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate has a molecular weight of 285.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 4-aminobenzoate is sourced from PubChem (CID 23999801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).