2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone

C17H24ClN3O2 — CID 71988605

IUPAC2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(Cc1ccc(Cl)nc1)CC1CCCO1)N1CCCC1
InChIInChI=1S/C17H24ClN3O2/c18-16-6-5-14(10-19-16)11-20(12-15-4-3-9-23-15)13-17(22)21-7-1-2-8-21/h5-6,10,15H,1-4,7-9,11-13H2
InChIKeyDPEVSOJEBDUWIV-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.34
Rot. Bonds6

About 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone

2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 71988605) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID71988605
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(Cc1ccc(Cl)nc1)CC1CCCO1)N1CCCC1
InChIInChI=1S/C17H24ClN3O2/c18-16-6-5-14(10-19-16)11-20(12-15-4-3-9-23-15)13-17(22)21-7-1-2-8-21/h5-6,10,15H,1-4,7-9,11-13H2
InChIKeyDPEVSOJEBDUWIV-UHFFFAOYSA-N
XLogP2.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone 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

2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622
2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 97160116
2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135928644
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
2-[benzyl(oxolan-2-ylmethyl)amino]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 60565287
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]ethanone
CID 60500781
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219384

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone (CID 71988605) is 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone is O=C(CN(Cc1ccc(Cl)nc1)CC1CCCO1)N1CCCC1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is DPEVSOJEBDUWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-16-6-5-14(10-19-16)11-20(12-15-4-3-9-23-15)13-17(22)21-7-1-2-8-21/h5-6,10,15H,1-4,7-9,11-13H2.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 337.85 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71988605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).