[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate

C16H16N2O3 — CID 7477255

IUPAC[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-6-8-13(9-7-11)18-15(19)12(2)21-16(20)14-5-3-4-10-17-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyKVPXYBVGMXGGFA-GFCCVEGCSA-N
MW284.31 g/mol
LogP2.57
Rot. Bonds4

About [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 7477255) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID7477255
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-6-8-13(9-7-11)18-15(19)12(2)21-16(20)14-5-3-4-10-17-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyKVPXYBVGMXGGFA-GFCCVEGCSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7776044
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] pyridine-2-carboxylate
CID 7866567
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloropyridine-2-carboxylate
CID 8904838
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] pyridine-2-carboxylate
CID 8647263
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477382
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477460
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 4613859
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate
CID 7718055
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 37289545
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 7477255) is [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate is Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)cc1.
What is the InChIKey of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is KVPXYBVGMXGGFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-8-13(9-7-11)18-15(19)12(2)21-16(20)14-5-3-4-10-17-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 7477255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).