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

C20H20N2O2 — CID 121022431

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-3-15-4-7-17(8-5-15)20(23)22-13-16-6-9-19(21-12-16)18-10-11-24-14-18/h4-12,14H,2-3,13H2,1H3,(H,22,23)
InChIKeyCCAIFFIUKBSDSI-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.22
Rot. Bonds6

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

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide (PubChem CID 121022431) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
PubChem CID121022431
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-3-15-4-7-17(8-5-15)20(23)22-13-16-6-9-19(21-12-16)18-10-11-24-14-18/h4-12,14H,2-3,13H2,1H3,(H,22,23)
InChIKeyCCAIFFIUKBSDSI-UHFFFAOYSA-N
XLogP4.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
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
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121196771
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide
CID 121196930
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
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-propylbenzamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide (CID 121022431) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide?
The InChIKey is CCAIFFIUKBSDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-15-4-7-17(8-5-15)20(23)22-13-16-6-9-19(21-12-16)18-10-11-24-14-18/h4-12,14H,2-3,13H2,1H3,(H,22,23).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide is sourced from PubChem (CID 121022431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).