3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

C19H20N4O2 — CID 71828148

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nnc2ccccn12
InChIInChI=1S/C19H20N4O2/c1-13(19-22-21-17-4-2-3-10-23(17)19)20-18(24)8-6-14-5-7-16-15(12-14)9-11-25-16/h2-5,7,10,12-13H,6,8-9,11H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyBGYLQDGUSFFVHC-ZDUSSCGKSA-N
MW336.40 g/mol
LogP2.47
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 71828148) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID71828148
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nnc2ccccn12
InChIInChI=1S/C19H20N4O2/c1-13(19-22-21-17-4-2-3-10-23(17)19)20-18(24)8-6-14-5-7-16-15(12-14)9-11-25-16/h2-5,7,10,12-13H,6,8-9,11H2,1H3,(H,20,24)/t13-/m0/s1
InChIKeyBGYLQDGUSFFVHC-ZDUSSCGKSA-N
XLogP2.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 124784113
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
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4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
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CID 51592382
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CID 51315733
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)propanamide
CID 163090812
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 134030637
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51268673

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 71828148) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is C[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nnc2ccccn12.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is BGYLQDGUSFFVHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(19-22-21-17-4-2-3-10-23(17)19)20-18(24)8-6-14-5-7-16-15(12-14)9-11-25-16/h2-5,7,10,12-13H,6,8-9,11H2,1H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 71828148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).