4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide

C20H25N3O2 — CID 38527586

IUPAC4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCCOc1ccccc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H25N3O2/c24-20(9-6-14-25-18-7-2-1-3-8-18)22-16-17-10-11-19(21-15-17)23-12-4-5-13-23/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2,(H,22,24)
InChIKeyCXOWXFLHKJBMMU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.16
Rot. Bonds8

About 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide

4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 38527586) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID38527586
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCCOc1ccccc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H25N3O2/c24-20(9-6-14-25-18-7-2-1-3-8-18)22-16-17-10-11-19(21-15-17)23-12-4-5-13-23/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2,(H,22,24)
InChIKeyCXOWXFLHKJBMMU-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide 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-(4-acetylphenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38530939
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55971867
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-cyanophenyl)propanamide
CID 47043373
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide (CID 38527586) is 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide is O=C(CCCOc1ccccc1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is CXOWXFLHKJBMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(9-6-14-25-18-7-2-1-3-8-18)22-16-17-10-11-19(21-15-17)23-12-4-5-13-23/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2,(H,22,24).
What are the key properties of 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 38527586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).