[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate

C15H14N2O3 — CID 95908447

IUPAC[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
SMILESC[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccn1
InChIInChI=1S/C15H14N2O3/c1-10(13-4-2-3-9-17-13)20-15(19)12-7-5-11(6-8-12)14(16)18/h2-10H,1H3,(H2,16,18)/t10-/m0/s1
InChIKeyRYUQUNLJSSYJHP-JTQLQIEISA-N
MW270.29 g/mol
LogP2.10
Rot. Bonds4

About [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate

[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate (PubChem CID 95908447) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate.

Molecular Properties

Compound Name[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
PubChem CID95908447
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
SMILESC[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccn1
InChIInChI=1S/C15H14N2O3/c1-10(13-4-2-3-9-17-13)20-15(19)12-7-5-11(6-8-12)14(16)18/h2-10H,1H3,(H2,16,18)/t10-/m0/s1
InChIKeyRYUQUNLJSSYJHP-JTQLQIEISA-N
XLogP2.10
TPSA82.28 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-pyridin-2-ylethyl] 5-bromopyridine-3-carboxylate
CID 95908461
methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
1-pyridin-2-ylethyl propanoate
CID 141268318
1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
CID 91804895
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
4-(1-pyridin-2-ylethoxy)benzoyl chloride
CID 86648380
1-pyridin-2-ylethyl 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 75505001
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
propyl 4-(1-pyridin-2-ylethylamino)benzoate
CID 43139647
1-aminoethyl pyridine-2-carboxylate
CID 141264689
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
2,4-dipyridin-2-ylpentan-3-one
CID 141048798

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate?
The IUPAC name of [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate (CID 95908447) is [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate.
What is the SMILES notation for [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate?
The canonical SMILES for [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate is C[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccn1.
What is the InChIKey of [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate?
The InChIKey is RYUQUNLJSSYJHP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(13-4-2-3-9-17-13)20-15(19)12-7-5-11(6-8-12)14(16)18/h2-10H,1H3,(H2,16,18)/t10-/m0/s1.
What are the key properties of [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate?
[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate has a molecular weight of 270.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate is sourced from PubChem (CID 95908447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).