[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate

C16H16N2O3 — CID 7696216

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-18(2)15(19)14(12-6-4-3-5-7-12)21-16(20)13-8-10-17-11-9-13/h3-11,14H,1-2H3/t14-/m0/s1
InChIKeyAHGWHNADGVHKHM-AWEZNQCLSA-N
MW284.31 g/mol
LogP2.07
Rot. Bonds4

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate (PubChem CID 7696216) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
PubChem CID7696216
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
SMILESCN(C)C(=O)[C@@H](OC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-18(2)15(19)14(12-6-4-3-5-7-12)21-16(20)13-8-10-17-11-9-13/h3-11,14H,1-2H3/t14-/m0/s1
InChIKeyAHGWHNADGVHKHM-AWEZNQCLSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7704010
benzhydryl pyridine-4-carboxylate
CID 891439
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
CID 41074424
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3,5-bis(trifluoromethyl)benzoate
CID 55391917
[2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 2935392
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715162
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 46824288

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate (CID 7696216) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate is CN(C)C(=O)[C@@H](OC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
The InChIKey is AHGWHNADGVHKHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(2)15(19)14(12-6-4-3-5-7-12)21-16(20)13-8-10-17-11-9-13/h3-11,14H,1-2H3/t14-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate is sourced from PubChem (CID 7696216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).