3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 975512

IUPAC3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C
InChIInChI=1S/C17H16N2O2/c1-10-7-14-12(3)16(21-15(14)8-11(10)2)17(20)19-13-5-4-6-18-9-13/h4-9H,1-3H3,(H,19,20)
InChIKeyLHRODFTZZMZIAL-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.01
Rot. Bonds2

About 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide

3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 975512) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
PubChem CID975512
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C
InChIInChI=1S/C17H16N2O2/c1-10-7-14-12(3)16(21-15(14)8-11(10)2)17(20)19-13-5-4-6-18-9-13/h4-9H,1-3H3,(H,19,20)
InChIKeyLHRODFTZZMZIAL-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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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide (CID 975512) is 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C.
What is the InChIKey of 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is LHRODFTZZMZIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-7-14-12(3)16(21-15(14)8-11(10)2)17(20)19-13-5-4-6-18-9-13/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide?
3,5,6-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 3,5,6-trimethyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 975512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).