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

C20H20N2O2 — CID 121196825

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15(17-5-3-2-4-6-17)11-20(23)22-13-16-7-8-19(21-12-16)18-9-10-24-14-18/h2-10,12,14-15H,11,13H2,1H3,(H,22,23)
InChIKeyHIRMITUUMIOPGS-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.15
Rot. Bonds6

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

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide (PubChem CID 121196825) 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]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
PubChem CID121196825
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15(17-5-3-2-4-6-17)11-20(23)22-13-16-7-8-19(21-12-16)18-9-10-24-14-18/h2-10,12,14-15H,11,13H2,1H3,(H,22,23)
InChIKeyHIRMITUUMIOPGS-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
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]-4-propylbenzamide
CID 121022431
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121196726
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 121196701
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
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]-3-phenylbutanamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide (CID 121196825) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide is CC(CC(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The InChIKey is HIRMITUUMIOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15(17-5-3-2-4-6-17)11-20(23)22-13-16-7-8-19(21-12-16)18-9-10-24-14-18/h2-10,12,14-15H,11,13H2,1H3,(H,22,23).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide has a molecular weight of 320.39 g/mol, XLogP of 4.15, 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]-3-phenylbutanamide is sourced from PubChem (CID 121196825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).