2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

C14H20ClN5O2 — CID 119537846

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nc2ccccn2c1=O)NCCC1CCNC1
InChIInChI=1S/C14H19N5O2.ClH/c20-13(16-7-5-11-4-6-15-9-11)10-19-14(21)18-8-2-1-3-12(18)17-19;/h1-3,8,11,15H,4-7,9-10H2,(H,16,20);1H
InChIKeyKRQLFGZLOMXLGZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.03
Rot. Bonds5

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119537846) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119537846
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nc2ccccn2c1=O)NCCC1CCNC1
InChIInChI=1S/C14H19N5O2.ClH/c20-13(16-7-5-11-4-6-15-9-11)10-19-14(21)18-8-2-1-3-12(18)17-19;/h1-3,8,11,15H,4-7,9-10H2,(H,16,20);1H
InChIKeyKRQLFGZLOMXLGZ-UHFFFAOYSA-N
XLogP0.03
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 120554922
2-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)acetamide;dihydrochloride
CID 119536549
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557505
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557506
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 94024374
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115649624
N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007085
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534155
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983316
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78849558
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 86920638
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119537846) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(Cn1nc2ccccn2c1=O)NCCC1CCNC1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is KRQLFGZLOMXLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c20-13(16-7-5-11-4-6-15-9-11)10-19-14(21)18-8-2-1-3-12(18)17-19;/h1-3,8,11,15H,4-7,9-10H2,(H,16,20);1H.
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119537846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).