4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide

C21H24ClN3O4 — CID 156814821

IUPAC4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide
SMILESCO/C=C\c1cc(C(=O)N(C)OC)ccc1N1CCC(Oc2ncccc2Cl)C1
InChIInChI=1S/C21H24ClN3O4/c1-24(28-3)21(26)16-6-7-19(15(13-16)9-12-27-2)25-11-8-17(14-25)29-20-18(22)5-4-10-23-20/h4-7,9-10,12-13,17H,8,11,14H2,1-3H3/b12-9-
InChIKeyCSTQSUJKULBUNU-XFXZXTDPSA-N
MW417.89 g/mol
LogP3.64
Rot. Bonds7

About 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide

4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide (PubChem CID 156814821) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide
PubChem CID156814821
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide
SMILESCO/C=C\c1cc(C(=O)N(C)OC)ccc1N1CCC(Oc2ncccc2Cl)C1
InChIInChI=1S/C21H24ClN3O4/c1-24(28-3)21(26)16-6-7-19(15(13-16)9-12-27-2)25-11-8-17(14-25)29-20-18(22)5-4-10-23-20/h4-7,9-10,12-13,17H,8,11,14H2,1-3H3/b12-9-
InChIKeyCSTQSUJKULBUNU-XFXZXTDPSA-N
XLogP3.64
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide 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-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-methoxyethenyl)-N-methyl-N-phenylbenzamide
CID 170313369
2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-(4-fluorobenzoyl)benzaldehyde
CID 156815130
methyl 4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)benzoate
CID 156814660
[4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 166683324
(2-chlorophenyl)-[3-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-(2-hydroxyethyl)phenyl]methanone
CID 156815577
4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide
CID 166683343
2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxybenzamide
CID 156814477
2-[2-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-(2-ethylphenyl)sulfanylphenyl]ethanol
CID 166004260
(2-chlorophenyl)-[4-[3-[(5-fluoro-2-pyridinyl)amino]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]phenyl]methanone
CID 166683283
2-[2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-[hydroxy-(4-methylphenyl)methyl]phenyl]ethanol
CID 156815413
3-chloro-2-[(3S)-1-[4-(2-chlorophenyl)-2-isocyanophenyl]pyrrolidin-3-yl]oxypyridine
CID 166004349
[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313502

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide?
The IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide (CID 156814821) is 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide is CO/C=C\c1cc(C(=O)N(C)OC)ccc1N1CCC(Oc2ncccc2Cl)C1.
What is the InChIKey of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide?
The InChIKey is CSTQSUJKULBUNU-XFXZXTDPSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-24(28-3)21(26)16-6-7-19(15(13-16)9-12-27-2)25-11-8-17(14-25)29-20-18(22)5-4-10-23-20/h4-7,9-10,12-13,17H,8,11,14H2,1-3H3/b12-9-.
What are the key properties of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide?
4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide has a molecular weight of 417.89 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide is sourced from PubChem (CID 156814821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).