N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide

C21H25N3O3 — CID 55899400

IUPACN-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C21H25N3O3/c1-2-20(25)23-18-8-3-7-17(12-18)21(26)24(15-19-9-5-11-27-19)14-16-6-4-10-22-13-16/h3-4,6-8,10,12-13,19H,2,5,9,11,14-15H2,1H3,(H,23,25)
InChIKeyGJFYPYSHTKOEEB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.25
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide

N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55899400) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55899400
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1
InChIInChI=1S/C21H25N3O3/c1-2-20(25)23-18-8-3-7-17(12-18)21(26)24(15-19-9-5-11-27-19)14-16-6-4-10-22-13-16/h3-4,6-8,10,12-13,19H,2,5,9,11,14-15H2,1H3,(H,23,25)
InChIKeyGJFYPYSHTKOEEB-UHFFFAOYSA-N
XLogP3.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-cyclopropyl-3-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)carbamoyl]amino]benzamide
CID 55834532
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4522378
N-benzyl-3-(3-imidazol-1-ylpropanoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95581974
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
(2R)-N-[3-[[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 95153327
(2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 95153329
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide (CID 55899400) is N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide is CCC(=O)Nc1cccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GJFYPYSHTKOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-20(25)23-18-8-3-7-17(12-18)21(26)24(15-19-9-5-11-27-19)14-16-6-4-10-22-13-16/h3-4,6-8,10,12-13,19H,2,5,9,11,14-15H2,1H3,(H,23,25).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55899400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).