5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

C18H18N2O3 — CID 24980288

IUPAC5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3cc(C)ccn3)c(C)c2c1
InChIInChI=1S/C18H18N2O3/c1-4-22-13-5-6-15-14(10-13)12(3)17(23-15)18(21)20-16-9-11(2)7-8-19-16/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyDZMGAPHNBJHSMI-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.10
Rot. Bonds4

About 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 24980288) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID24980288
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3cc(C)ccn3)c(C)c2c1
InChIInChI=1S/C18H18N2O3/c1-4-22-13-5-6-15-14(10-13)12(3)17(23-15)18(21)20-16-9-11(2)7-8-19-16/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyDZMGAPHNBJHSMI-UHFFFAOYSA-N
XLogP4.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Afn-1252
CID 10407120
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
CID 54586250
N-(3-chloropyridin-2-yl)-1-benzofuran-2-carboxamide
CID 949440
N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763857
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951730
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951982
N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)propanamide
CID 57576874
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
CID 49800165
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
(5-Methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8362990
5-methoxy-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 16382764

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 24980288) is 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3cc(C)ccn3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is DZMGAPHNBJHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-4-22-13-5-6-15-14(10-13)12(3)17(23-15)18(21)20-16-9-11(2)7-8-19-16/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(4-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24980288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).