3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C17H21N5O2 — CID 71930144

IUPAC3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-19-16(21-20-12)13-5-4-6-14(11-13)17(24)18-8-7-15(23)22-9-2-3-10-22/h4-6,11H,2-3,7-10H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyNOIOWPGRQWUGJK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.52
Rot. Bonds5

About 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 71930144) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID71930144
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-19-16(21-20-12)13-5-4-6-14(11-13)17(24)18-8-7-15(23)22-9-2-3-10-22/h4-6,11H,2-3,7-10H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyNOIOWPGRQWUGJK-UHFFFAOYSA-N
XLogP1.52
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyloxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 166216124
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111831347
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
4-chloro-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate
CID 55773755
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 71930144) is 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is Cc1nc(-c2cccc(C(=O)NCCC(=O)N3CCCC3)c2)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is NOIOWPGRQWUGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-19-16(21-20-12)13-5-4-6-14(11-13)17(24)18-8-7-15(23)22-9-2-3-10-22/h4-6,11H,2-3,7-10H2,1H3,(H,18,24)(H,19,20,21).
What are the key properties of 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 71930144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).