[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate

C15H14N2O3 — CID 9413930

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14N2O3/c1-11(14(18)17-13-7-3-2-4-8-13)20-15(19)12-6-5-9-16-10-12/h2-11H,1H3,(H,17,18)/t11-/m1/s1
InChIKeyKXTZVYVEQHMZEO-LLVKDONJSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds4

About [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate

[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate (PubChem CID 9413930) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
PubChem CID9413930
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESC[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14N2O3/c1-11(14(18)17-13-7-3-2-4-8-13)20-15(19)12-6-5-9-16-10-12/h2-11H,1H3,(H,17,18)/t11-/m1/s1
InChIKeyKXTZVYVEQHMZEO-LLVKDONJSA-N
XLogP2.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2386320
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate
CID 86909566
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23744799
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23915988
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] pyridine-3-carboxylate
CID 8647499
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 26002719
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate (CID 9413930) is [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate is C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate?
The InChIKey is KXTZVYVEQHMZEO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11(14(18)17-13-7-3-2-4-8-13)20-15(19)12-6-5-9-16-10-12/h2-11H,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate?
[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 9413930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).