3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

C17H18N4O2 — CID 95932644

IUPAC3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESC[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1
InChIInChI=1S/C17H18N4O2/c1-11-10-13(11)14-7-5-12(23-14)6-8-16(22)18-17-20-19-15-4-2-3-9-21(15)17/h2-5,7,9,11,13H,6,8,10H2,1H3,(H,18,20,22)/t11-,13-/m1/s1
InChIKeyUJIKRGLVALAEDF-DGCLKSJQSA-N
MW310.36 g/mol
LogP3.02
Rot. Bonds5

About 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (PubChem CID 95932644) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
PubChem CID95932644
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESC[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1
InChIInChI=1S/C17H18N4O2/c1-11-10-13(11)14-7-5-12(23-14)6-8-16(22)18-17-20-19-15-4-2-3-9-21(15)17/h2-5,7,9,11,13H,6,8,10H2,1H3,(H,18,20,22)/t11-,13-/m1/s1
InChIKeyUJIKRGLVALAEDF-DGCLKSJQSA-N
XLogP3.02
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (CID 95932644) is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The canonical SMILES for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1.
What is the InChIKey of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The InChIKey is UJIKRGLVALAEDF-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-10-13(11)14-7-5-12(23-14)6-8-16(22)18-17-20-19-15-4-2-3-9-21(15)17/h2-5,7,9,11,13H,6,8,10H2,1H3,(H,18,20,22)/t11-,13-/m1/s1.
What are the key properties of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 95932644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).