N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide

C21H23N3O3 — CID 122243061

IUPACN-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide
SMILESCOc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1
InChIInChI=1S/C21H23N3O3/c1-15(25)23-20-9-7-16(13-22-20)8-10-21(26)24-12-11-17(14-24)18-5-3-4-6-19(18)27-2/h3-10,13,17H,11-12,14H2,1-2H3,(H,22,23,25)/b10-8+
InChIKeyOXMDBWMQMHXHKS-CSKARUKUSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds5

About N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide

N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide (PubChem CID 122243061) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide
PubChem CID122243061
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide
SMILESCOc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1
InChIInChI=1S/C21H23N3O3/c1-15(25)23-20-9-7-16(13-22-20)8-10-21(26)24-12-11-17(14-24)18-5-3-4-6-19(18)27-2/h3-10,13,17H,11-12,14H2,1-2H3,(H,22,23,25)/b10-8+
InChIKeyOXMDBWMQMHXHKS-CSKARUKUSA-N
XLogP3.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide 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

Didehydro rosiglitazone, (5Z)-
CID 10119132
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
US9902722, Example 7
CID 118429852
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
CID 920769
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]phenyl]-2-pyridinyl]acetamide
CID 168286154
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
CID 948752

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide (CID 122243061) is N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide is COc1ccccc1C1CCN(C(=O)/C=C/c2ccc(NC(C)=O)nc2)C1.
What is the InChIKey of N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide?
The InChIKey is OXMDBWMQMHXHKS-CSKARUKUSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)23-20-9-7-16(13-22-20)8-10-21(26)24-12-11-17(14-24)18-5-3-4-6-19(18)27-2/h3-10,13,17H,11-12,14H2,1-2H3,(H,22,23,25)/b10-8+.
What are the key properties of N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide?
N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 122243061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).