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

C16H16N2O3 — CID 2626159

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESC[C@@H](OC(=O)c1ccncc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(21-16(20)13-8-10-17-11-9-13)15(19)18(2)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m1/s1
InChIKeyRAOJPVSRUXGQCE-GFCCVEGCSA-N
MW284.31 g/mol
LogP2.29
Rot. Bonds4

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

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate (PubChem CID 2626159) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
PubChem CID2626159
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
SMILESC[C@@H](OC(=O)c1ccncc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(21-16(20)13-8-10-17-11-9-13)15(19)18(2)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m1/s1
InChIKeyRAOJPVSRUXGQCE-GFCCVEGCSA-N
XLogP2.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(N-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55318611
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833968
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 55314177
2-O-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-O-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 29248727
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 6915166
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 55314334
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 55352238
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate
CID 2528641
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580152
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7429425
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991651

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate (CID 2626159) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate is C[C@@H](OC(=O)c1ccncc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
The InChIKey is RAOJPVSRUXGQCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(21-16(20)13-8-10-17-11-9-13)15(19)18(2)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 2626159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).