2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide

C17H18N2O3 — CID 99926874

IUPAC2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
SMILESC[C@H](Cc1cccnc1)NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O3/c1-12(7-14-3-2-6-18-10-14)19-17(20)9-13-4-5-15-16(8-13)22-11-21-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyYJHSSTRNPOKGIB-GFCCVEGCSA-N
MW298.34 g/mol
LogP2.10
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide (PubChem CID 99926874) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
PubChem CID99926874
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
SMILESC[C@H](Cc1cccnc1)NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O3/c1-12(7-14-3-2-6-18-10-14)19-17(20)9-13-4-5-15-16(8-13)22-11-21-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyYJHSSTRNPOKGIB-GFCCVEGCSA-N
XLogP2.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99973874
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]acetamide
CID 98134860
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide
CID 99784502
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,2-dimethoxy-1-pyridin-3-ylethyl)acetamide
CID 86794050
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide (CID 99926874) is 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide is C[C@H](Cc1cccnc1)NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
The InChIKey is YJHSSTRNPOKGIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(7-14-3-2-6-18-10-14)19-17(20)9-13-4-5-15-16(8-13)22-11-21-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide is sourced from PubChem (CID 99926874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).