3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide

C19H18N4O2 — CID 91947627

IUPAC3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCc2nnc3ccccn23)oc2ccccc12
InChIInChI=1S/C19H18N4O2/c1-13-14-7-2-3-8-15(14)25-18(13)19(24)20-11-6-10-17-22-21-16-9-4-5-12-23(16)17/h2-5,7-9,12H,6,10-11H2,1H3,(H,20,24)
InChIKeyIIXOBDHCBMSDFK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds5

About 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide

3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 91947627) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
PubChem CID91947627
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCc2nnc3ccccn23)oc2ccccc12
InChIInChI=1S/C19H18N4O2/c1-13-14-7-2-3-8-15(14)25-18(13)19(24)20-11-6-10-17-22-21-16-9-4-5-12-23(16)17/h2-5,7-9,12H,6,10-11H2,1H3,(H,20,24)
InChIKeyIIXOBDHCBMSDFK-UHFFFAOYSA-N
XLogP3.15
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
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

4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
CID 91947735
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
5-bromo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91947819
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91793630
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
6-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70711892
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91772735
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 119069048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide (CID 91947627) is 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCCc2nnc3ccccn23)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is IIXOBDHCBMSDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-14-7-2-3-8-15(14)25-18(13)19(24)20-11-6-10-17-22-21-16-9-4-5-12-23(16)17/h2-5,7-9,12H,6,10-11H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91947627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).