N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide

C18H16N2O3 — CID 121196612

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-16-5-3-14(4-6-16)18(21)20-11-13-2-7-17(19-10-13)15-8-9-23-12-15/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyVCOFKDPFBRNAGF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.28
Rot. Bonds5

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide (PubChem CID 121196612) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
PubChem CID121196612
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-16-5-3-14(4-6-16)18(21)20-11-13-2-7-17(19-10-13)15-8-9-23-12-15/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyVCOFKDPFBRNAGF-UHFFFAOYSA-N
XLogP3.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121196771
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121196851
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide (CID 121196612) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide?
The InChIKey is VCOFKDPFBRNAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-16-5-3-14(4-6-16)18(21)20-11-13-2-7-17(19-10-13)15-8-9-23-12-15/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 121196612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).