3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide

C20H20N4O2S — CID 90633137

IUPAC3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NCC1CCCN1c1nccs1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C20H20N4O2S/c25-19(23-14-16-6-4-11-24(16)20-22-10-12-27-20)15-5-3-7-17(13-15)26-18-8-1-2-9-21-18/h1-3,5,7-10,12-13,16H,4,6,11,14H2,(H,23,25)
InChIKeyPCQJAAUVGPHPCM-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds6

About 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide

3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide (PubChem CID 90633137) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
PubChem CID90633137
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
SMILESO=C(NCC1CCCN1c1nccs1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C20H20N4O2S/c25-19(23-14-16-6-4-11-24(16)20-22-10-12-27-20)15-5-3-7-17(13-15)26-18-8-1-2-9-21-18/h1-3,5,7-10,12-13,16H,4,6,11,14H2,(H,23,25)
InChIKeyPCQJAAUVGPHPCM-UHFFFAOYSA-N
XLogP3.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
CID 90619424
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598
2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619576
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
4-[(2-fluorophenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide
CID 90619406
2-(2-fluorophenoxy)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619345
2-(1,3-dioxoisoindol-2-yl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619529
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
3-pyridin-2-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 90596616
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 71809890

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide (CID 90633137) is 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide is O=C(NCC1CCCN1c1nccs1)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is PCQJAAUVGPHPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(23-14-16-6-4-11-24(16)20-22-10-12-27-20)15-5-3-7-17(13-15)26-18-8-1-2-9-21-18/h1-3,5,7-10,12-13,16H,4,6,11,14H2,(H,23,25).
What are the key properties of 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide?
3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxy-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 90633137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).