N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide

C22H19N3O2 — CID 91158500

IUPACN-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1cccnc1C=Cc1ccncc1
InChIInChI=1S/C22H19N3O2/c26-16-19(15-18-5-2-1-3-6-18)25-22(27)20-7-4-12-24-21(20)9-8-17-10-13-23-14-11-17/h1-14,16,19H,15H2,(H,25,27)/t19-/m0/s1
InChIKeyPETDLUUYOCYDAU-IBGZPJMESA-N
MW357.41 g/mol
LogP3.19
Rot. Bonds7

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

N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide (PubChem CID 91158500) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
PubChem CID91158500
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)c1cccnc1C=Cc1ccncc1
InChIInChI=1S/C22H19N3O2/c26-16-19(15-18-5-2-1-3-6-18)25-22(27)20-7-4-12-24-21(20)9-8-17-10-13-23-14-11-17/h1-14,16,19H,15H2,(H,25,27)/t19-/m0/s1
InChIKeyPETDLUUYOCYDAU-IBGZPJMESA-N
XLogP3.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

N-(1-oxo-3-phenylpropan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190789
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine
CID 67215511
N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190834
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
CID 11733202
4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-[(E)-2-phenylethenyl]benzamide
CID 59959708
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]pyridine-3-carboxamide
CID 66996094
2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 22988100
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666642
2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522393
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
sodium;hydride;2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide (CID 91158500) is N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide is O=C[C@H](Cc1ccccc1)NC(=O)c1cccnc1C=Cc1ccncc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide?
The InChIKey is PETDLUUYOCYDAU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19N3O2/c26-16-19(15-18-5-2-1-3-6-18)25-22(27)20-7-4-12-24-21(20)9-8-17-10-13-23-14-11-17/h1-14,16,19H,15H2,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide?
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91158500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).