3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide

C20H17N3O2 — CID 121197060

IUPAC3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2cncc(-c3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O2/c21-11-16-5-3-15(4-6-16)7-8-20(24)23-13-17-10-18(14-22-12-17)19-2-1-9-25-19/h1-6,9-10,12,14H,7-8,13H2,(H,23,24)
InChIKeyOLWLGGVABFBKPY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.46
Rot. Bonds6

About 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide

3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 121197060) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide
PubChem CID121197060
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2cncc(-c3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O2/c21-11-16-5-3-15(4-6-16)7-8-20(24)23-13-17-10-18(14-22-12-17)19-2-1-9-25-19/h1-6,9-10,12,14H,7-8,13H2,(H,23,24)
InChIKeyOLWLGGVABFBKPY-UHFFFAOYSA-N
XLogP3.46
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide
CID 91630459
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
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
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide (CID 121197060) is 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide is N#Cc1ccc(CCC(=O)NCc2cncc(-c3ccco3)c2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is OLWLGGVABFBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-11-16-5-3-15(4-6-16)7-8-20(24)23-13-17-10-18(14-22-12-17)19-2-1-9-25-19/h1-6,9-10,12,14H,7-8,13H2,(H,23,24).
What are the key properties of 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide?
3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 121197060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).