N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide

C18H22N4O3 — CID 46970579

IUPACN-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide
SMILESCC(CNC(=O)c1ccc(Oc2ncccn2)cc1)N1CCOCC1
InChIInChI=1S/C18H22N4O3/c1-14(22-9-11-24-12-10-22)13-21-17(23)15-3-5-16(6-4-15)25-18-19-7-2-8-20-18/h2-8,14H,9-13H2,1H3,(H,21,23)
InChIKeyWBYMRXXETWXWAG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.72
Rot. Bonds6

About N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide

N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide (PubChem CID 46970579) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide
PubChem CID46970579
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide
SMILESCC(CNC(=O)c1ccc(Oc2ncccn2)cc1)N1CCOCC1
InChIInChI=1S/C18H22N4O3/c1-14(22-9-11-24-12-10-22)13-21-17(23)15-3-5-16(6-4-15)25-18-19-7-2-8-20-18/h2-8,14H,9-13H2,1H3,(H,21,23)
InChIKeyWBYMRXXETWXWAG-UHFFFAOYSA-N
XLogP1.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
CID 95635716
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 94022187
6-imidazol-1-yl-N-[(2S)-2-morpholin-4-ylpropyl]pyridine-3-carboxamide
CID 129367054
N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 92612749
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
3-[(4-fluorophenyl)methoxy]-N-(2-morpholin-4-ylpropyl)benzamide
CID 55612328
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
N-(2-morpholin-4-ylpropyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 55612253
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide (CID 46970579) is N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide is CC(CNC(=O)c1ccc(Oc2ncccn2)cc1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide?
The InChIKey is WBYMRXXETWXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14(22-9-11-24-12-10-22)13-21-17(23)15-3-5-16(6-4-15)25-18-19-7-2-8-20-18/h2-8,14H,9-13H2,1H3,(H,21,23).
What are the key properties of N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide?
N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 46970579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).