2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide

C18H18ClN5O2 — CID 71793328

IUPAC2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)Cc2ccccc2Cl)c1=O
InChIInChI=1S/C18H18ClN5O2/c1-23-17(15-8-4-5-9-20-15)22-24(18(23)26)11-10-21-16(25)12-13-6-2-3-7-14(13)19/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyRUXUPHAXPURMFI-UHFFFAOYSA-N
MW371.83 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide

2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 71793328) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID71793328
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)Cc2ccccc2Cl)c1=O
InChIInChI=1S/C18H18ClN5O2/c1-23-17(15-8-4-5-9-20-15)22-24(18(23)26)11-10-21-16(25)12-13-6-2-3-7-14(13)19/h2-9H,10-12H2,1H3,(H,21,25)
InChIKeyRUXUPHAXPURMFI-UHFFFAOYSA-N
XLogP1.66
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide with MolForge

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Related Compounds

1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301
2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
CID 121116005
N-[2-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121115984
2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121115997
2-(2,4-dichlorophenoxy)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116038
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 71793308
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
4-bromo-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121116021
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121116105
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 71793304
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 71793314
5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-nitrobenzamide
CID 121116030

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide (CID 71793328) is 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide is Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2ccccc2Cl)c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is RUXUPHAXPURMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-23-17(15-8-4-5-9-20-15)22-24(18(23)26)11-10-21-16(25)12-13-6-2-3-7-14(13)19/h2-9H,10-12H2,1H3,(H,21,25).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 371.83 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71793328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).