3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide

C18H23N5O2 — CID 42189042

IUPAC3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCn2cc(C(=O)N3CCCC3)nn2)c1
InChIInChI=1S/C18H23N5O2/c1-13-9-14(2)11-15(10-13)17(24)19-5-8-23-12-16(20-21-23)18(25)22-6-3-4-7-22/h9-12H,3-8H2,1-2H3,(H,19,24)
InChIKeyOUDFTHINRAUPTJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.56
Rot. Bonds5

About 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide

3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide (PubChem CID 42189042) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
PubChem CID42189042
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCn2cc(C(=O)N3CCCC3)nn2)c1
InChIInChI=1S/C18H23N5O2/c1-13-9-14(2)11-15(10-13)17(24)19-5-8-23-12-16(20-21-23)18(25)22-6-3-4-7-22/h9-12H,3-8H2,1-2H3,(H,19,24)
InChIKeyOUDFTHINRAUPTJ-UHFFFAOYSA-N
XLogP1.56
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
CID 42164519
N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
CID 25306522
1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 106752673
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
4-tert-butyl-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
CID 42363016
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
[1-(3,4-dimethylphenyl)triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 30850391
N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 42362609
1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 83020136
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
CID 42321320

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide (CID 42189042) is 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCCn2cc(C(=O)N3CCCC3)nn2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide?
The InChIKey is OUDFTHINRAUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-9-14(2)11-15(10-13)17(24)19-5-8-23-12-16(20-21-23)18(25)22-6-3-4-7-22/h9-12H,3-8H2,1-2H3,(H,19,24).
What are the key properties of 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide?
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide has a molecular weight of 341.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 42189042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).