4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C22H27N3O3 — CID 55585097

IUPAC4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H27N3O3/c26-22(18-6-8-19(9-7-18)28-16-20-4-3-13-27-20)24-15-17-5-10-21(23-14-17)25-11-1-2-12-25/h5-10,14,20H,1-4,11-13,15-16H2,(H,24,26)
InChIKeyASICWYRXRURKHX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.17
Rot. Bonds7

About 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55585097) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55585097
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H27N3O3/c26-22(18-6-8-19(9-7-18)28-16-20-4-3-13-27-20)24-15-17-5-10-21(23-14-17)25-11-1-2-12-25/h5-10,14,20H,1-4,11-13,15-16H2,(H,24,26)
InChIKeyASICWYRXRURKHX-UHFFFAOYSA-N
XLogP3.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
2-methyl-1-(oxolan-2-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111139023

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 55585097) is 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ASICWYRXRURKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-22(18-6-8-19(9-7-18)28-16-20-4-3-13-27-20)24-15-17-5-10-21(23-14-17)25-11-1-2-12-25/h5-10,14,20H,1-4,11-13,15-16H2,(H,24,26).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55585097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).