3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C18H25N5O3 — CID 118763152

IUPAC3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1nc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)nn1C
InChIInChI=1S/C18H25N5O3/c1-22-18(25-2)20-16(21-22)14-5-3-6-15(13-14)17(24)19-7-4-8-23-9-11-26-12-10-23/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,24)
InChIKeyOLFHIRNNJFQKGP-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.94
Rot. Bonds7

About 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide

3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 118763152) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID118763152
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1nc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)nn1C
InChIInChI=1S/C18H25N5O3/c1-22-18(25-2)20-16(21-22)14-5-3-6-15(13-14)17(24)19-7-4-8-23-9-11-26-12-10-23/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,24)
InChIKeyOLFHIRNNJFQKGP-UHFFFAOYSA-N
XLogP0.94
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 118763152) is 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide is COc1nc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)nn1C.
What is the InChIKey of 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OLFHIRNNJFQKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-22-18(25-2)20-16(21-22)14-5-3-6-15(13-14)17(24)19-7-4-8-23-9-11-26-12-10-23/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,24).
What are the key properties of 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 118763152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).