[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate

C16H16N2O4 — CID 7478119

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccncc1
InChIInChI=1S/C16H16N2O4/c1-11(22-16(20)12-7-9-17-10-8-12)15(19)18-13-5-3-4-6-14(13)21-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZVFIFTMQZJYWKN-NSHDSACASA-N
MW300.31 g/mol
LogP2.27
Rot. Bonds5

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate (PubChem CID 7478119) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
PubChem CID7478119
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccncc1
InChIInChI=1S/C16H16N2O4/c1-11(22-16(20)12-7-9-17-10-8-12)15(19)18-13-5-3-4-6-14(13)21-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZVFIFTMQZJYWKN-NSHDSACASA-N
XLogP2.27
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7504367
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483574
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553849
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2625888
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752987
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647080
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate
CID 25387385
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7860096
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065132

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate (CID 7478119) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate is COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccncc1.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The InChIKey is ZVFIFTMQZJYWKN-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(22-16(20)12-7-9-17-10-8-12)15(19)18-13-5-3-4-6-14(13)21-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 7478119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).