1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea

C17H18N8O3 — CID 68835349

IUPAC1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NNC(C)=O)n2n1
InChIInChI=1S/C17H18N8O3/c1-3-19-17(28)21-16-20-14-8-12(11-5-4-6-18-9-11)7-13(25(14)24-16)15(27)23-22-10(2)26/h4-9H,3H2,1-2H3,(H,22,26)(H,23,27)(H2,19,21,24,28)
InChIKeyYZDUYYOKTJLOQZ-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.71
Rot. Bonds4

About 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea

1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea (PubChem CID 68835349) has the molecular formula C17H18N8O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
PubChem CID68835349
Molecular FormulaC17H18N8O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NNC(C)=O)n2n1
InChIInChI=1S/C17H18N8O3/c1-3-19-17(28)21-16-20-14-8-12(11-5-4-6-18-9-11)7-13(25(14)24-16)15(27)23-22-10(2)26/h4-9H,3H2,1-2H3,(H,22,26)(H,23,27)(H2,19,21,24,28)
InChIKeyYZDUYYOKTJLOQZ-UHFFFAOYSA-N
XLogP0.71
TPSA142.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 68835563
1-ethyl-3-[5-(methylsulfanylmethyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68838129
1-[5-(2,3-dimethylimidazol-4-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
CID 68839047
1-ethyl-3-[5-(2-methyl-1,3-thiazol-5-yl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835955
1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68835902
1-ethyl-3-[5-[(1-methylpiperidin-4-yl)amino]-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 68837712
7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 143209862
1-[5-(cyclopropanecarbonyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 68901891
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
ethane;1-ethyl-3-(7-methyl-5-pyridin-3-yl-1,3-benzothiazol-2-yl)urea
CID 143598440
1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 44555361
1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 45484816

Frequently Asked Questions

What is the IUPAC name of 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea (CID 68835349) is 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NNC(C)=O)n2n1.
What is the InChIKey of 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea?
The InChIKey is YZDUYYOKTJLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O3/c1-3-19-17(28)21-16-20-14-8-12(11-5-4-6-18-9-11)7-13(25(14)24-16)15(27)23-22-10(2)26/h4-9H,3H2,1-2H3,(H,22,26)(H,23,27)(H2,19,21,24,28).
What are the key properties of 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea?
1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea has a molecular weight of 382.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 68835349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).