4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

C14H19N5O — CID 63714986

IUPAC4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C14H19N5O/c1-10-8-15-9-11(10)14(20)16-6-5-13-18-17-12-4-2-3-7-19(12)13/h2-4,7,10-11,15H,5-6,8-9H2,1H3,(H,16,20)
InChIKeyHZPQACMOFWQNJH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.24
Rot. Bonds4

About 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63714986) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63714986
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C14H19N5O/c1-10-8-15-9-11(10)14(20)16-6-5-13-18-17-12-4-2-3-7-19(12)13/h2-4,7,10-11,15H,5-6,8-9H2,1H3,(H,16,20)
InChIKeyHZPQACMOFWQNJH-UHFFFAOYSA-N
XLogP0.24
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 64824029
cis-(1R,2S)-2-(5-methylthiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95273551
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 94167814
2-methyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 46448936
tert-butyl N-[(1R,2R)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclooctyl]carbamate
CID 96540508
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
CID 17474331
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
6-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperazine-2-carboxamide
CID 56871360
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 91947429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 63714986) is 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HZPQACMOFWQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-8-15-9-11(10)14(20)16-6-5-13-18-17-12-4-2-3-7-19(12)13/h2-4,7,10-11,15H,5-6,8-9H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63714986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).