5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide

C14H18N2O2 — CID 16906947

IUPAC5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc2nc(C)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-3-4-5-8-15-14(17)13-9-11-12(18-13)7-6-10(2)16-11/h6-7,9H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyWJWLAWOYPCLKOU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.06
Rot. Bonds5

About 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide

5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 16906947) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID16906947
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc2nc(C)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-3-4-5-8-15-14(17)13-9-11-12(18-13)7-6-10(2)16-11/h6-7,9H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyWJWLAWOYPCLKOU-UHFFFAOYSA-N
XLogP3.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide (CID 16906947) is 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide is CCCCCNC(=O)c1cc2nc(C)ccc2o1.
What is the InChIKey of 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is WJWLAWOYPCLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-5-8-15-14(17)13-9-11-12(18-13)7-6-10(2)16-11/h6-7,9H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide?
5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16906947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).