2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide

C15H18N2O2 — CID 826921

IUPAC2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1
InChIInChI=1S/C15H18N2O2/c1-15(2,3)13-9-11(6-7-16-13)14(18)17-10-12-5-4-8-19-12/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeySTCLWUZLZBUBTP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds3

About 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide

2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 826921) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID826921
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1
InChIInChI=1S/C15H18N2O2/c1-15(2,3)13-9-11(6-7-16-13)14(18)17-10-12-5-4-8-19-12/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeySTCLWUZLZBUBTP-UHFFFAOYSA-N
XLogP2.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide (CID 826921) is 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1.
What is the InChIKey of 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is STCLWUZLZBUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)13-9-11(6-7-16-13)14(18)17-10-12-5-4-8-19-12/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(furan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 826921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).