2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C15H14N6O3 — CID 44571955

IUPAC2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)O)n2n1
InChIInChI=1S/C15H14N6O3/c1-2-17-15(24)19-14-18-12-7-10(9-4-3-5-16-8-9)6-11(13(22)23)21(12)20-14/h3-8H,2H2,1H3,(H,22,23)(H2,17,19,20,24)
InChIKeyIAUFKRYLYQKSEX-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.63
Rot. Bonds4

About 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 44571955) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID44571955
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)O)n2n1
InChIInChI=1S/C15H14N6O3/c1-2-17-15(24)19-14-18-12-7-10(9-4-3-5-16-8-9)6-11(13(22)23)21(12)20-14/h3-8H,2H2,1H3,(H,22,23)(H2,17,19,20,24)
InChIKeyIAUFKRYLYQKSEX-UHFFFAOYSA-N
XLogP1.63
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 44571955) is 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)O)n2n1.
What is the InChIKey of 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is IAUFKRYLYQKSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-2-17-15(24)19-14-18-12-7-10(9-4-3-5-16-8-9)6-11(13(22)23)21(12)20-14/h3-8H,2H2,1H3,(H,22,23)(H2,17,19,20,24).
What are the key properties of 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 326.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 44571955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).