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

C16H16N6O3 — CID 44571954

IUPACmethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OC)n2n1
InChIInChI=1S/C16H16N6O3/c1-3-18-16(24)20-15-19-13-8-11(10-5-4-6-17-9-10)7-12(14(23)25-2)22(13)21-15/h4-9H,3H2,1-2H3,(H2,18,20,21,24)
InChIKeyWPRFLQNQMSIMJG-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.72
Rot. Bonds4

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

methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 44571954) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID44571954
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Namemethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OC)n2n1
InChIInChI=1S/C16H16N6O3/c1-3-18-16(24)20-15-19-13-8-11(10-5-4-6-17-9-10)7-12(14(23)25-2)22(13)21-15/h4-9H,3H2,1-2H3,(H2,18,20,21,24)
InChIKeyWPRFLQNQMSIMJG-UHFFFAOYSA-N
XLogP1.72
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 44571954) is methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OC)n2n1.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is WPRFLQNQMSIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-3-18-16(24)20-15-19-13-8-11(10-5-4-6-17-9-10)7-12(14(23)25-2)22(13)21-15/h4-9H,3H2,1-2H3,(H2,18,20,21,24).
What are the key properties of methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 44571954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).