4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide

C18H25N5O2 — CID 95909105

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H](C)CCN3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-13(7-8-23-9-11-25-12-10-23)19-18(24)16-5-3-15(4-6-16)17-20-14(2)21-22-17/h3-6,13H,7-12H2,1-2H3,(H,19,24)(H,20,21,22)/t13-/m1/s1
InChIKeyBXKDIVAGRRTDTK-CYBMUJFWSA-N
MW343.43 g/mol
LogP1.62
Rot. Bonds6

About 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide

4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide (PubChem CID 95909105) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide
PubChem CID95909105
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H](C)CCN3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C18H25N5O2/c1-13(7-8-23-9-11-25-12-10-23)19-18(24)16-5-3-15(4-6-16)17-20-14(2)21-22-17/h3-6,13H,7-12H2,1-2H3,(H,19,24)(H,20,21,22)/t13-/m1/s1
InChIKeyBXKDIVAGRRTDTK-CYBMUJFWSA-N
XLogP1.62
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide with MolForge

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Related Compounds

4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone
CID 71866643
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-(4-fluorophenyl)-2,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)pyrrole-3-carboxamide
CID 86949670
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
CID 90164454
N-(3-morpholin-4-ylpropyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489084
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide (CID 95909105) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide is Cc1nc(-c2ccc(C(=O)N[C@H](C)CCN3CCOCC3)cc2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide?
The InChIKey is BXKDIVAGRRTDTK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(7-8-23-9-11-25-12-10-23)19-18(24)16-5-3-15(4-6-16)17-20-14(2)21-22-17/h3-6,13H,7-12H2,1-2H3,(H,19,24)(H,20,21,22)/t13-/m1/s1.
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide?
4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]benzamide is sourced from PubChem (CID 95909105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).