3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C15H21N5O — CID 63141485

IUPAC3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2nnc3ccccn23)CCNC1
InChIInChI=1S/C15H21N5O/c1-2-6-15(7-8-16-11-15)14(21)17-10-13-19-18-12-5-3-4-9-20(12)13/h3-5,9,16H,2,6-8,10-11H2,1H3,(H,17,21)
InChIKeyXMUPUIFBNVLYPS-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.13
Rot. Bonds5

About 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 63141485) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID63141485
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2nnc3ccccn23)CCNC1
InChIInChI=1S/C15H21N5O/c1-2-6-15(7-8-16-11-15)14(21)17-10-13-19-18-12-5-3-4-9-20(12)13/h3-5,9,16H,2,6-8,10-11H2,1H3,(H,17,21)
InChIKeyXMUPUIFBNVLYPS-UHFFFAOYSA-N
XLogP1.13
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63302616
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
3-propyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139178
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9451316
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 63141485) is 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2nnc3ccccn23)CCNC1.
What is the InChIKey of 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XMUPUIFBNVLYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-6-15(7-8-16-11-15)14(21)17-10-13-19-18-12-5-3-4-9-20(12)13/h3-5,9,16H,2,6-8,10-11H2,1H3,(H,17,21).
What are the key properties of 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).