3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H23N5O2 — CID 50784700

IUPAC3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nnc2ccc(C(=O)NCCCN3CCOCC3)cn12
InChIInChI=1S/C16H23N5O2/c1-2-14-18-19-15-5-4-13(12-21(14)15)16(22)17-6-3-7-20-8-10-23-11-9-20/h4-5,12H,2-3,6-11H2,1H3,(H,17,22)
InChIKeyGHSNQRLCZATGFS-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.74
Rot. Bonds6

About 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 50784700) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID50784700
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCc1nnc2ccc(C(=O)NCCCN3CCOCC3)cn12
InChIInChI=1S/C16H23N5O2/c1-2-14-18-19-15-5-4-13(12-21(14)15)16(22)17-6-3-7-20-8-10-23-11-9-20/h4-5,12H,2-3,6-11H2,1H3,(H,17,22)
InChIKeyGHSNQRLCZATGFS-UHFFFAOYSA-N
XLogP0.74
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[2-(dimethylamino)ethyl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50784714
3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140382
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 50784700) is 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCc1nnc2ccc(C(=O)NCCCN3CCOCC3)cn12.
What is the InChIKey of 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GHSNQRLCZATGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-2-14-18-19-15-5-4-13(12-21(14)15)16(22)17-6-3-7-20-8-10-23-11-9-20/h4-5,12H,2-3,6-11H2,1H3,(H,17,22).
What are the key properties of 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 50784700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).