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

C18H20N4O2 — CID 94473557

IUPAC3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESC[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3ccccn23)o1
InChIInChI=1S/C18H20N4O2/c1-12-10-14(12)15-7-5-13(24-15)6-8-18(23)19-11-17-21-20-16-4-2-3-9-22(16)17/h2-5,7,9,12,14H,6,8,10-11H2,1H3,(H,19,23)/t12-,14-/m1/s1
InChIKeySMPZCAIPRILZHO-TZMCWYRMSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds6

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

3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 94473557) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 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-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID94473557
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESC[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3ccccn23)o1
InChIInChI=1S/C18H20N4O2/c1-12-10-14(12)15-7-5-13(24-15)6-8-18(23)19-11-17-21-20-16-4-2-3-9-22(16)17/h2-5,7,9,12,14H,6,8,10-11H2,1H3,(H,19,23)/t12-,14-/m1/s1
InChIKeySMPZCAIPRILZHO-TZMCWYRMSA-N
XLogP2.69
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 43182864
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014209
2-methyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 46448936
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39761250
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71998225
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
3-(tert-butylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61274592

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-ylmethyl)propanamide?
The IUPAC name of 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 94473557) is 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)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-ylmethyl)propanamide?
The canonical SMILES for 3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3ccccn23)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-ylmethyl)propanamide?
The InChIKey is SMPZCAIPRILZHO-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-10-14(12)15-7-5-13(24-15)6-8-18(23)19-11-17-21-20-16-4-2-3-9-22(16)17/h2-5,7,9,12,14H,6,8,10-11H2,1H3,(H,19,23)/t12-,14-/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-ylmethyl)propanamide?
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.69, 6 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-ylmethyl)propanamide is sourced from PubChem (CID 94473557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).