2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C17H13N5O3 — CID 8023690

IUPAC2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)NCc1nnc2ccccn12
InChIInChI=1S/C17H13N5O3/c23-15(18-9-14-20-19-13-7-3-4-8-21(13)14)10-22-12-6-2-1-5-11(12)16(24)17(22)25/h1-8H,9-10H2,(H,18,23)
InChIKeyPTTLPSAFWKNMQY-UHFFFAOYSA-N
MW335.32 g/mol
LogP0.57
Rot. Bonds4

About 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 8023690) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID8023690
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)NCc1nnc2ccccn12
InChIInChI=1S/C17H13N5O3/c23-15(18-9-14-20-19-13-7-3-4-8-21(13)14)10-22-12-6-2-1-5-11(12)16(24)17(22)25/h1-8H,9-10H2,(H,18,23)
InChIKeyPTTLPSAFWKNMQY-UHFFFAOYSA-N
XLogP0.57
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 92519341
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 18775377
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 92519340
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
2-(4-aminopiperidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 79323405
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9440861
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 8023690) is 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(CN1C(=O)C(=O)c2ccccc21)NCc1nnc2ccccn12.
What is the InChIKey of 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is PTTLPSAFWKNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-15(18-9-14-20-19-13-7-3-4-8-21(13)14)10-22-12-6-2-1-5-11(12)16(24)17(22)25/h1-8H,9-10H2,(H,18,23).
What are the key properties of 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 335.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxoindol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 8023690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).