3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide

C20H18N4O2 — CID 56786702

IUPAC3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(Cc2nnc3ccccn23)cc1
InChIInChI=1S/C20H18N4O2/c25-20(11-10-17-4-3-13-26-17)21-16-8-6-15(7-9-16)14-19-23-22-18-5-1-2-12-24(18)19/h1-9,12-13H,10-11,14H2,(H,21,25)
InChIKeyUCXFNSIEOKPWCU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.48
Rot. Bonds6

About 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide

3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide (PubChem CID 56786702) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide
PubChem CID56786702
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(Cc2nnc3ccccn23)cc1
InChIInChI=1S/C20H18N4O2/c25-20(11-10-17-4-3-13-26-17)21-16-8-6-15(7-9-16)14-19-23-22-18-5-1-2-12-24(18)19/h1-9,12-13H,10-11,14H2,(H,21,25)
InChIKeyUCXFNSIEOKPWCU-UHFFFAOYSA-N
XLogP3.48
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51279582
2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide
CID 75463395
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 86934553
N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 154752004
1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide
CID 75463283
2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 120799421
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
3-(furan-2-yl)-N-[4-(6,7,8,9-tetrahydroimidazo[2,1-c][1,2,4]benzotriazin-2-yl)phenyl]propanamide
CID 126469260
1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 86936591
N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 71701241

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide (CID 56786702) is 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide is O=C(CCc1ccco1)Nc1ccc(Cc2nnc3ccccn23)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide?
The InChIKey is UCXFNSIEOKPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(11-10-17-4-3-13-26-17)21-16-8-6-15(7-9-16)14-19-23-22-18-5-1-2-12-24(18)19/h1-9,12-13H,10-11,14H2,(H,21,25).
What are the key properties of 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide?
3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 56786702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).