5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide

C14H13BrN4O2 — CID 91947819

IUPAC5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN4O2/c15-11-7-6-10(21-11)14(20)16-8-3-5-13-18-17-12-4-1-2-9-19(12)13/h1-2,4,6-7,9H,3,5,8H2,(H,16,20)
InChIKeyKHTUMLPLEONKFE-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.45
Rot. Bonds5

About 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide

5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide (PubChem CID 91947819) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
PubChem CID91947819
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCc1nnc2ccccn12)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN4O2/c15-11-7-6-10(21-11)14(20)16-8-3-5-13-18-17-12-4-1-2-9-19(12)13/h1-2,4,6-7,9H,3,5,8H2,(H,16,20)
InChIKeyKHTUMLPLEONKFE-UHFFFAOYSA-N
XLogP2.45
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91793630
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 91947627
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600
2-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
3-(4-fluorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947697
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947850
4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
CID 91947735
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide (CID 91947819) is 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide is O=C(NCCCc1nnc2ccccn12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The InChIKey is KHTUMLPLEONKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c15-11-7-6-10(21-11)14(20)16-8-3-5-13-18-17-12-4-1-2-9-19(12)13/h1-2,4,6-7,9H,3,5,8H2,(H,16,20).
What are the key properties of 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 91947819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).