3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 852703

IUPAC3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)Nc3cccnc3)oc2c1
InChIInChI=1S/C17H16N2O2/c1-10-7-11(2)15-12(3)16(21-14(15)8-10)17(20)19-13-5-4-6-18-9-13/h4-9H,1-3H3,(H,19,20)
InChIKeyUBJHTWBNRNLYIN-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.01
Rot. Bonds2

About 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide

3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 852703) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
PubChem CID852703
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)Nc3cccnc3)oc2c1
InChIInChI=1S/C17H16N2O2/c1-10-7-11(2)15-12(3)16(21-14(15)8-10)17(20)19-13-5-4-6-18-9-13/h4-9H,1-3H3,(H,19,20)
InChIKeyUBJHTWBNRNLYIN-UHFFFAOYSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
3-methyl-N-(pyridin-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 741784
3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 35672851
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
4,5-dimethyl-N-pyridin-3-ylpyridine-3-carboxamide;molecular hydrogen
CID 144555172
(4R)-4-hydroxy-3,6,6-trimethyl-N-pyridin-3-yl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
CID 7596330
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-pyridin-3-ylfuro[3,2-b]pyridine-2-carboxamide
CID 16906874
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide (CID 852703) is 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)Nc3cccnc3)oc2c1.
What is the InChIKey of 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is UBJHTWBNRNLYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-7-11(2)15-12(3)16(21-14(15)8-10)17(20)19-13-5-4-6-18-9-13/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 852703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).