N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

C13H16N4O3 — CID 75395634

IUPACN-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESCCC(=O)CNC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H16N4O3/c1-2-10(18)9-14-12(19)6-8-17-13(20)16-7-4-3-5-11(16)15-17/h3-5,7H,2,6,8-9H2,1H3,(H,14,19)
InChIKeyMIODBTXJCQTKDS-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.02
Rot. Bonds6

About N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (PubChem CID 75395634) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
PubChem CID75395634
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESCCC(=O)CNC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H16N4O3/c1-2-10(18)9-14-12(19)6-8-17-13(20)16-7-4-3-5-11(16)15-17/h3-5,7H,2,6,8-9H2,1H3,(H,14,19)
InChIKeyMIODBTXJCQTKDS-UHFFFAOYSA-N
XLogP-0.02
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 100906527
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
CID 75420349
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The IUPAC name of N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (CID 75395634) is N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.
What is the SMILES notation for N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The canonical SMILES for N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is CCC(=O)CNC(=O)CCn1nc2ccccn2c1=O.
What is the InChIKey of N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The InChIKey is MIODBTXJCQTKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-10(18)9-14-12(19)6-8-17-13(20)16-7-4-3-5-11(16)15-17/h3-5,7H,2,6,8-9H2,1H3,(H,14,19).
What are the key properties of N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide has a molecular weight of 276.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 75395634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).