2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide

C19H29N5O2 — CID 70718351

IUPAC2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide
SMILESCCCCc1nn(CC(=O)NC(CC)c2cccc(C)n2)c(=O)n1CC
InChIInChI=1S/C19H29N5O2/c1-5-8-12-17-22-24(19(26)23(17)7-3)13-18(25)21-15(6-2)16-11-9-10-14(4)20-16/h9-11,15H,5-8,12-13H2,1-4H3,(H,21,25)
InChIKeyCFAAEFOGQXFGIV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.38
Rot. Bonds9

About 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide

2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide (PubChem CID 70718351) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide
PubChem CID70718351
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide
SMILESCCCCc1nn(CC(=O)NC(CC)c2cccc(C)n2)c(=O)n1CC
InChIInChI=1S/C19H29N5O2/c1-5-8-12-17-22-24(19(26)23(17)7-3)13-18(25)21-15(6-2)16-11-9-10-14(4)20-16/h9-11,15H,5-8,12-13H2,1-4H3,(H,21,25)
InChIKeyCFAAEFOGQXFGIV-UHFFFAOYSA-N
XLogP2.38
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide?
The IUPAC name of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide (CID 70718351) is 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide.
What is the SMILES notation for 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide?
The canonical SMILES for 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide is CCCCc1nn(CC(=O)NC(CC)c2cccc(C)n2)c(=O)n1CC.
What is the InChIKey of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide?
The InChIKey is CFAAEFOGQXFGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-5-8-12-17-22-24(19(26)23(17)7-3)13-18(25)21-15(6-2)16-11-9-10-14(4)20-16/h9-11,15H,5-8,12-13H2,1-4H3,(H,21,25).
What are the key properties of 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide?
2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-ethyl-5-oxo-1,2,4-triazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)propyl]acetamide is sourced from PubChem (CID 70718351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).