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

C19H21N5O — CID 47012852

IUPACN-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCCC1c1nnc2ccccn12)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-22(15-8-3-2-4-9-15)18(25)14-23-12-7-10-16(23)19-21-20-17-11-5-6-13-24(17)19/h2-6,8-9,11,13,16H,7,10,12,14H2,1H3
InChIKeyGMIMDFWGOIWJMF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.53
Rot. Bonds4

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

N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 47012852) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID47012852
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide
SMILESCN(C(=O)CN1CCCC1c1nnc2ccccn12)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-22(15-8-3-2-4-9-15)18(25)14-23-12-7-10-16(23)19-21-20-17-11-5-6-13-24(17)19/h2-6,8-9,11,13,16H,7,10,12,14H2,1H3
InChIKeyGMIMDFWGOIWJMF-UHFFFAOYSA-N
XLogP2.53
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide (CID 47012852) is N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide is CN(C(=O)CN1CCCC1c1nnc2ccccn12)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is GMIMDFWGOIWJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-22(15-8-3-2-4-9-15)18(25)14-23-12-7-10-16(23)19-21-20-17-11-5-6-13-24(17)19/h2-6,8-9,11,13,16H,7,10,12,14H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide?
N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 47012852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).