2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide

C20H20N6O2 — CID 146039736

IUPAC2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(N)=O)nc2-c2cccc(N3CCCC3=O)c2)n1
InChIInChI=1S/C20H20N6O2/c1-13-5-2-8-18(22-13)26-20(23-17(24-26)12-16(21)27)14-6-3-7-15(11-14)25-10-4-9-19(25)28/h2-3,5-8,11H,4,9-10,12H2,1H3,(H2,21,27)
InChIKeyLAQJACXLCXDFAF-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.79
Rot. Bonds5

About 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide

2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 146039736) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID146039736
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(N)=O)nc2-c2cccc(N3CCCC3=O)c2)n1
InChIInChI=1S/C20H20N6O2/c1-13-5-2-8-18(22-13)26-20(23-17(24-26)12-16(21)27)14-6-3-7-15(11-14)25-10-4-9-19(25)28/h2-3,5-8,11H,4,9-10,12H2,1H3,(H2,21,27)
InChIKeyLAQJACXLCXDFAF-UHFFFAOYSA-N
XLogP1.79
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

N-methyl-2-[1-(2-methylphenyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide
CID 146038056
ethane;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 142348344
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
2-[5-(ethoxymethyl)-1-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]acetamide
CID 131935867
1-[3-[2-(3-hydroxypropyl)-5-(2-methylbutyl)-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 146046898
1-[3-[2-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 146039999
1-[3-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyrrolidin-2-one
CID 154569900
ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 54417365
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9420953
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide (CID 146039736) is 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(N)=O)nc2-c2cccc(N3CCCC3=O)c2)n1.
What is the InChIKey of 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is LAQJACXLCXDFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-5-2-8-18(22-13)26-20(23-17(24-26)12-16(21)27)14-6-3-7-15(11-14)25-10-4-9-19(25)28/h2-3,5-8,11H,4,9-10,12H2,1H3,(H2,21,27).
What are the key properties of 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-pyridinyl)-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146039736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).