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

C21H23N5O2 — CID 24612298

IUPACN-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C21H23N5O2/c27-19(15-16-7-2-1-3-8-16)22-12-11-20(28)25-14-6-9-17(25)21-24-23-18-10-4-5-13-26(18)21/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2,(H,22,27)
InChIKeyXBXOVWFZULNIQD-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.14
Rot. Bonds6

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

N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide (PubChem CID 24612298) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide
PubChem CID24612298
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C21H23N5O2/c27-19(15-16-7-2-1-3-8-16)22-12-11-20(28)25-14-6-9-17(25)21-24-23-18-10-4-5-13-26(18)21/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2,(H,22,27)
InChIKeyXBXOVWFZULNIQD-UHFFFAOYSA-N
XLogP2.14
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 42924146
2,2-dimethyl-N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 46528379
4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 38717084
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
2-[3-oxo-3-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135910568
1-[3-oxo-3-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]cinnolin-4-one
CID 51926193
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95299285
8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
CID 46685317
10-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 24649470
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
(E)-3-naphthalen-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 24617390

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide (CID 24612298) is N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCC(=O)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide?
The InChIKey is XBXOVWFZULNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(15-16-7-2-1-3-8-16)22-12-11-20(28)25-14-6-9-17(25)21-24-23-18-10-4-5-13-26(18)21/h1-5,7-8,10,13,17H,6,9,11-12,14-15H2,(H,22,27).
What are the key properties of N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide?
N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide has a molecular weight of 377.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 24612298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).