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

C15H16N4O3 — CID 91793630

IUPAC5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)NCCCc2nnc3ccccn23)o1
InChIInChI=1S/C15H16N4O3/c1-21-14-8-7-11(22-14)15(20)16-9-4-6-13-18-17-12-5-2-3-10-19(12)13/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,20)
InChIKeyVFWHSTIIAKKGSC-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.69
Rot. Bonds6

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

5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide (PubChem CID 91793630) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
PubChem CID91793630
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
SMILESCOc1ccc(C(=O)NCCCc2nnc3ccccn23)o1
InChIInChI=1S/C15H16N4O3/c1-21-14-8-7-11(22-14)15(20)16-9-4-6-13-18-17-12-5-2-3-10-19(12)13/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,20)
InChIKeyVFWHSTIIAKKGSC-UHFFFAOYSA-N
XLogP1.69
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 91947614
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
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
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-thiophen-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131933799

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide (CID 91793630) is 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide is COc1ccc(C(=O)NCCCc2nnc3ccccn23)o1.
What is the InChIKey of 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The InChIKey is VFWHSTIIAKKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-21-14-8-7-11(22-14)15(20)16-9-4-6-13-18-17-12-5-2-3-10-19(12)13/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,16,20).
What are the key properties of 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 91793630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).