N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide

C24H21N3O2 — CID 76687568

IUPACN-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C24H21N3O2/c28-23(12-11-18-7-3-1-4-8-18)26-22-16-21(13-14-25-22)27-17-20(15-24(27)29)19-9-5-2-6-10-19/h1-14,16,20H,15,17H2,(H,25,26,28)
InChIKeyGTJQRJDYQYRDPM-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.25
Rot. Bonds5

About N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide

N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide (PubChem CID 76687568) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide
PubChem CID76687568
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1
InChIInChI=1S/C24H21N3O2/c28-23(12-11-18-7-3-1-4-8-18)26-22-16-21(13-14-25-22)27-17-20(15-24(27)29)19-9-5-2-6-10-19/h1-14,16,20H,15,17H2,(H,25,26,28)
InChIKeyGTJQRJDYQYRDPM-UHFFFAOYSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 58150092
N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 124636526
1-tert-butyl-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150100
4-fluoro-N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]benzamide
CID 58150102
1-(2-chloroethyl)-3-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]urea
CID 124636542
4-methoxy-N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]benzamide
CID 124636540
1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150117
1-[(1-methylpiperidin-2-yl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 66971321
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
1-[4-[2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-pyridinyl]-3-(pyridin-2-ylmethyl)urea
CID 66971362
3-phenyl-N-(4-pyridin-4-yl-2-pyridinyl)prop-2-enamide
CID 171061782
(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7547805

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide (CID 76687568) is N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1.
What is the InChIKey of N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide?
The InChIKey is GTJQRJDYQYRDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(12-11-18-7-3-1-4-8-18)26-22-16-21(13-14-25-22)27-17-20(15-24(27)29)19-9-5-2-6-10-19/h1-14,16,20H,15,17H2,(H,25,26,28).
What are the key properties of N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide?
N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 76687568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).