1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C17H18N6O2 — CID 68835563

IUPAC1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)CC)n2n1
InChIInChI=1S/C17H18N6O2/c1-3-14(24)13-8-12(11-6-5-7-18-10-11)9-15-20-16(22-23(13)15)21-17(25)19-4-2/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25)
InChIKeyPBCOYSJNTQSSDJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.53
Rot. Bonds5

About 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 68835563) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID68835563
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)CC)n2n1
InChIInChI=1S/C17H18N6O2/c1-3-14(24)13-8-12(11-6-5-7-18-10-11)9-15-20-16(22-23(13)15)21-17(25)19-4-2/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25)
InChIKeyPBCOYSJNTQSSDJ-UHFFFAOYSA-N
XLogP2.53
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea with MolForge

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Related Compounds

1-[5-(acetamidocarbamoyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-ethylurea
CID 68835349
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
1-[5-(cyclopropanecarbonyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 68901891
7-(2,4-dimethylphenyl)-N-ethyl-2-(ethylcarbamoylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 143209862
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
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
CID 89324885
CID 89324885

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 68835563) is 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)CC)n2n1.
What is the InChIKey of 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is PBCOYSJNTQSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-3-14(24)13-8-12(11-6-5-7-18-10-11)9-15-20-16(22-23(13)15)21-17(25)19-4-2/h5-10H,3-4H2,1-2H3,(H2,19,21,22,25).
What are the key properties of 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 338.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-propanoyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 68835563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).