ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen

C17H22N6O3 — CID 143209850

IUPACethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OCC)n2n1.[H][H].[H][H]
InChIInChI=1S/C17H18N6O3.2H2/c1-3-19-17(25)21-16-20-14-9-12(11-6-5-7-18-10-11)8-13(23(14)22-16)15(24)26-4-2;;/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25);2*1H
InChIKeyGLNHREFTDQATCY-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.60
Rot. Bonds5

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

ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen (PubChem CID 143209850) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen
PubChem CID143209850
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Nameethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OCC)n2n1.[H][H].[H][H]
InChIInChI=1S/C17H18N6O3.2H2/c1-3-19-17(25)21-16-20-14-9-12(11-6-5-7-18-10-11)8-13(23(14)22-16)15(24)26-4-2;;/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25);2*1H
InChIKeyGLNHREFTDQATCY-UHFFFAOYSA-N
XLogP2.60
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen with MolForge

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Related Compounds

Ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 21067290
2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid ethylamide
CID 25195131
2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid amide
CID 44571956
2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid methylamide
CID 44572001
methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 86279298
4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
CID 24180718
[2-(4-Methoxycarbonylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2547990
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
ethyl 4-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)benzoate
CID 53325961
ethyl 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57394913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen?
The IUPAC name of ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen (CID 143209850) is ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen.
What is the SMILES notation for ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen?
The canonical SMILES for ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)OCC)n2n1.[H][H].[H][H].
What is the InChIKey of ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen?
The InChIKey is GLNHREFTDQATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3.2H2/c1-3-19-17(25)21-16-20-14-9-12(11-6-5-7-18-10-11)8-13(23(14)22-16)15(24)26-4-2;;/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25);2*1H.
What are the key properties of ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen?
ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen has a molecular weight of 358.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;molecular hydrogen is sourced from PubChem (CID 143209850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).