N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide

C20H27N5O2 — CID 134803388

IUPACN-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C20H27N5O2/c26-19(14-16-6-2-1-3-7-16)21-17-9-11-23(15-17)12-13-25-20(27)24-10-5-4-8-18(24)22-25/h1-3,6-7,17H,4-5,8-15H2,(H,21,26)
InChIKeyBXZYIJYXONERGB-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.81
Rot. Bonds6

About N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide

N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 134803388) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide
PubChem CID134803388
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C20H27N5O2/c26-19(14-16-6-2-1-3-7-16)21-17-9-11-23(15-17)12-13-25-20(27)24-10-5-4-8-18(24)22-25/h1-3,6-7,17H,4-5,8-15H2,(H,21,26)
InChIKeyBXZYIJYXONERGB-UHFFFAOYSA-N
XLogP0.81
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide (CID 134803388) is N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1.
What is the InChIKey of N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is BXZYIJYXONERGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-19(14-16-6-2-1-3-7-16)21-17-9-11-23(15-17)12-13-25-20(27)24-10-5-4-8-18(24)22-25/h1-3,6-7,17H,4-5,8-15H2,(H,21,26).
What are the key properties of N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide?
N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 369.47 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 134803388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).