2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

C20H24N6O — CID 118769640

IUPAC2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESO=C(NCCCc1nnc2ccccn12)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H24N6O/c27-20(19(25-12-3-4-13-25)16-7-5-10-21-15-16)22-11-6-9-18-24-23-17-8-1-2-14-26(17)18/h1-2,5,7-8,10,14-15,19H,3-4,6,9,11-13H2,(H,22,27)
InChIKeyZZYLJEJPZAFJLT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.01
Rot. Bonds7

About 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (PubChem CID 118769640) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
PubChem CID118769640
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESO=C(NCCCc1nnc2ccccn12)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H24N6O/c27-20(19(25-12-3-4-13-25)16-7-5-10-21-15-16)22-11-6-9-18-24-23-17-8-1-2-14-26(17)18/h1-2,5,7-8,10,14-15,19H,3-4,6,9,11-13H2,(H,22,27)
InChIKeyZZYLJEJPZAFJLT-UHFFFAOYSA-N
XLogP2.01
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
1-(2-hydroxy-1-phenylethyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 111795490
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 91947817
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
2-methyl-1-(2-piperidin-1-ylethyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111769169
(9S)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125159638
(9R)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125159636

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The IUPAC name of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (CID 118769640) is 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The canonical SMILES for 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is O=C(NCCCc1nnc2ccccn12)C(c1cccnc1)N1CCCC1.
What is the InChIKey of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The InChIKey is ZZYLJEJPZAFJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(19(25-12-3-4-13-25)16-7-5-10-21-15-16)22-11-6-9-18-24-23-17-8-1-2-14-26(17)18/h1-2,5,7-8,10,14-15,19H,3-4,6,9,11-13H2,(H,22,27).
What are the key properties of 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 118769640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).