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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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-Methyl(5-(pyridin-3-YL)furan-2-YL)methanamine
CID 11229234
N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2978966
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526

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).