N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide

C21H18N2O2 — CID 20666700

IUPACN-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C21H18N2O2/c24-15-19(14-16-6-2-1-3-7-16)23-21(25)18-11-9-17(10-12-18)20-8-4-5-13-22-20/h1-13,15,19H,14H2,(H,23,25)/t19-/m0/s1
InChIKeyWLTHUTLAZHHZLC-IBGZPJMESA-N
MW330.39 g/mol
LogP3.29
Rot. Bonds6

About N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide (PubChem CID 20666700) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
PubChem CID20666700
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C21H18N2O2/c24-15-19(14-16-6-2-1-3-7-16)23-21(25)18-11-9-17(10-12-18)20-8-4-5-13-22-20/h1-13,15,19H,14H2,(H,23,25)/t19-/m0/s1
InChIKeyWLTHUTLAZHHZLC-IBGZPJMESA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide 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

4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
N-(4-oxobutyl)-4-pyridin-2-ylbenzamide
CID 86091874
N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190789
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56597575
N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide (CID 20666700) is N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide is O=C[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide?
The InChIKey is WLTHUTLAZHHZLC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18N2O2/c24-15-19(14-16-6-2-1-3-7-16)23-21(25)18-11-9-17(10-12-18)20-8-4-5-13-22-20/h1-13,15,19H,14H2,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide?
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide has a molecular weight of 330.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 20666700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).