3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide

C18H18N2O2 — CID 92559635

IUPAC3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N[C@H](C)c3cccnc3)oc2c1
InChIInChI=1S/C18H18N2O2/c1-11-6-7-15-12(2)17(22-16(15)9-11)18(21)20-13(3)14-5-4-8-19-10-14/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyKJTQUKFSECEDDG-CYBMUJFWSA-N
MW294.35 g/mol
LogP3.94
Rot. Bonds3

About 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide

3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 92559635) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID92559635
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N[C@H](C)c3cccnc3)oc2c1
InChIInChI=1S/C18H18N2O2/c1-11-6-7-15-12(2)17(22-16(15)9-11)18(21)20-13(3)14-5-4-8-19-10-14/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyKJTQUKFSECEDDG-CYBMUJFWSA-N
XLogP3.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 42515942
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
3,6-dimethyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 97145494
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide (CID 92559635) is 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N[C@H](C)c3cccnc3)oc2c1.
What is the InChIKey of 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is KJTQUKFSECEDDG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-6-7-15-12(2)17(22-16(15)9-11)18(21)20-13(3)14-5-4-8-19-10-14/h4-10,13H,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 92559635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).