N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide

C16H15N3O2 — CID 121197083

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C16H15N3O2/c20-16(12-19-5-1-2-6-19)18-10-13-8-14(11-17-9-13)15-4-3-7-21-15/h1-9,11H,10,12H2,(H,18,20)
InChIKeyYDZHDAAIFQDAHJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.46
Rot. Bonds5

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide (PubChem CID 121197083) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
PubChem CID121197083
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C16H15N3O2/c20-16(12-19-5-1-2-6-19)18-10-13-8-14(11-17-9-13)15-4-3-7-21-15/h1-9,11H,10,12H2,(H,18,20)
InChIKeyYDZHDAAIFQDAHJ-UHFFFAOYSA-N
XLogP2.46
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178
2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067
3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide
CID 121197060
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 121197225
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121196988
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide (CID 121197083) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NCc1cncc(-c2ccco2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide?
The InChIKey is YDZHDAAIFQDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(12-19-5-1-2-6-19)18-10-13-8-14(11-17-9-13)15-4-3-7-21-15/h1-9,11H,10,12H2,(H,18,20).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide has a molecular weight of 281.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 121197083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).