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

C17H18N2O3 — CID 7776044

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-13-7-9-14(10-8-13)19-16(20)12(2)22-17(21)15-6-4-5-11-18-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyUNTOUUIELKGFHZ-GFCCVEGCSA-N
MW298.34 g/mol
LogP2.83
Rot. Bonds5

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

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 7776044) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID7776044
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-13-7-9-14(10-8-13)19-16(20)12(2)22-17(21)15-6-4-5-11-18-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyUNTOUUIELKGFHZ-GFCCVEGCSA-N
XLogP2.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] pyridine-2-carboxylate
CID 7866567
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 2358161
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508540
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477382
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477368
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477460
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 7776044) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is UNTOUUIELKGFHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-13-7-9-14(10-8-13)19-16(20)12(2)22-17(21)15-6-4-5-11-18-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 7776044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).