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

C20H17N3O2 — CID 91630459

IUPAC3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O2/c21-13-16-5-3-15(4-6-16)7-8-20(24)23-14-17-9-10-22-18(12-17)19-2-1-11-25-19/h1-6,9-12H,7-8,14H2,(H,23,24)
InChIKeyQDSVNVNTUAKYLL-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.46
Rot. Bonds6

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

3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide (PubChem CID 91630459) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide
PubChem CID91630459
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide
SMILESN#Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1
InChIInChI=1S/C20H17N3O2/c21-13-16-5-3-15(4-6-16)7-8-20(24)23-14-17-9-10-22-18(12-17)19-2-1-11-25-19/h1-6,9-12H,7-8,14H2,(H,23,24)
InChIKeyQDSVNVNTUAKYLL-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-[[5-(furan-2-yl)-3-pyridinyl]methyl]propanamide
CID 121197060
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
(2R)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 100713215
(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 117055113
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 91630425
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]quinoxaline-2-carboxamide
CID 91630434
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-methoxypyridine-3-carboxamide
CID 91630468
3-(4-cyanophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 131704068
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide (CID 91630459) is 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide is N#Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide?
The InChIKey is QDSVNVNTUAKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-13-16-5-3-15(4-6-16)7-8-20(24)23-14-17-9-10-22-18(12-17)19-2-1-11-25-19/h1-6,9-12H,7-8,14H2,(H,23,24).
What are the key properties of 3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide?
3-(4-cyanophenyl)-N-[[2-(furan-2-yl)-4-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-[[2-(furan-2-yl)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 91630459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).