2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide

C16H21N5O2 — CID 86772369

IUPAC2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC1CCc2nnc(CC)n2C1
InChIInChI=1S/C16H21N5O2/c1-3-13-19-20-14-8-7-11(10-21(13)14)18-15(22)12-6-5-9-17-16(12)23-4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyGOJYDGBBZBGNGB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.38
Rot. Bonds5

About 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide

2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide (PubChem CID 86772369) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide
PubChem CID86772369
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC1CCc2nnc(CC)n2C1
InChIInChI=1S/C16H21N5O2/c1-3-13-19-20-14-8-7-11(10-21(13)14)18-15(22)12-6-5-9-17-16(12)23-4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyGOJYDGBBZBGNGB-UHFFFAOYSA-N
XLogP1.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(6S)-3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 97342742
5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-hydroxybenzamide
CID 154841244
2-ethoxy-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]pyridine-3-carboxamide
CID 137336193
1-tert-butyl-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-methylpyrazole-3-carboxamide
CID 86772442
N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]-2-ethoxypyridine-3-carboxamide
CID 136988419
2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
CID 97346553
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772386
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
3-ethoxy-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]naphthalene-2-carboxamide
CID 95140145
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide
CID 110127556

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide (CID 86772369) is 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)NC1CCc2nnc(CC)n2C1.
What is the InChIKey of 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide?
The InChIKey is GOJYDGBBZBGNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-13-19-20-14-8-7-11(10-21(13)14)18-15(22)12-6-5-9-17-16(12)23-4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide?
2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86772369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).