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

C17H22N6O3 — CID 75470231

IUPAC3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
SMILESCC(C)c1nnc2n1CC(NC(=O)CNC(=O)c1ncccc1O)CC2
InChIInChI=1S/C17H22N6O3/c1-10(2)16-22-21-13-6-5-11(9-23(13)16)20-14(25)8-19-17(26)15-12(24)4-3-7-18-15/h3-4,7,10-11,24H,5-6,8-9H2,1-2H3,(H,19,26)(H,20,25)
InChIKeyTTZUHQOIDWEOSD-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.36
Rot. Bonds5

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

3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 75470231) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
PubChem CID75470231
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
SMILESCC(C)c1nnc2n1CC(NC(=O)CNC(=O)c1ncccc1O)CC2
InChIInChI=1S/C17H22N6O3/c1-10(2)16-22-21-13-6-5-11(9-23(13)16)20-14(25)8-19-17(26)15-12(24)4-3-7-18-15/h3-4,7,10-11,24H,5-6,8-9H2,1-2H3,(H,19,26)(H,20,25)
InChIKeyTTZUHQOIDWEOSD-UHFFFAOYSA-N
XLogP0.36
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide (CID 75470231) is 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide is CC(C)c1nnc2n1CC(NC(=O)CNC(=O)c1ncccc1O)CC2.
What is the InChIKey of 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is TTZUHQOIDWEOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-10(2)16-22-21-13-6-5-11(9-23(13)16)20-14(25)8-19-17(26)15-12(24)4-3-7-18-15/h3-4,7,10-11,24H,5-6,8-9H2,1-2H3,(H,19,26)(H,20,25).
What are the key properties of 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide?
3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 75470231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).