N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide

C17H18N2O3 — CID 126855511

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC2COc3ccccc32)cn1
InChIInChI=1S/C17H18N2O3/c1-2-21-16-8-7-12(9-18-16)17(20)19-10-13-11-22-15-6-4-3-5-14(13)15/h3-9,13H,2,10-11H2,1H3,(H,19,20)
InChIKeySARPEFYYJAXMCY-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.39
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide (PubChem CID 126855511) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
PubChem CID126855511
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC2COc3ccccc32)cn1
InChIInChI=1S/C17H18N2O3/c1-2-21-16-8-7-12(9-18-16)17(20)19-10-13-11-22-15-6-4-3-5-14(13)15/h3-9,13H,2,10-11H2,1H3,(H,19,20)
InChIKeySARPEFYYJAXMCY-UHFFFAOYSA-N
XLogP2.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide (CID 126855511) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NCC2COc3ccccc32)cn1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide?
The InChIKey is SARPEFYYJAXMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-21-16-8-7-12(9-18-16)17(20)19-10-13-11-22-15-6-4-3-5-14(13)15/h3-9,13H,2,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 126855511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).