(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide

C21H27N3O3 — CID 126428469

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)CN(Cc1cccnc1)C(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C
InChIInChI=1S/C21H27N3O3/c1-15(2)12-24(13-16-6-5-9-22-11-16)21(25)20(23(3)4)17-7-8-18-19(10-17)27-14-26-18/h5-11,15,20H,12-14H2,1-4H3/t20-/m1/s1
InChIKeyVZDQSFRXTJUBAS-HXUWFJFHSA-N
MW369.47 g/mol
LogP3.10
Rot. Bonds7

About (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide

(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 126428469) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID126428469
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)CN(Cc1cccnc1)C(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C
InChIInChI=1S/C21H27N3O3/c1-15(2)12-24(13-16-6-5-9-22-11-16)21(25)20(23(3)4)17-7-8-18-19(10-17)27-14-26-18/h5-11,15,20H,12-14H2,1-4H3/t20-/m1/s1
InChIKeyVZDQSFRXTJUBAS-HXUWFJFHSA-N
XLogP3.10
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071
(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
CID 97211190
1,3-benzodioxol-5-ylmethyl(pyridin-3-ylmethyl)carbamodithioic acid
CID 102336345
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-(2-methylpropyl)acetamide
CID 39384116
2-(1,3-benzodioxol-5-yl)-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 11921808
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 18557460
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 66634712
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
(1S,2S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164641594
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide (CID 126428469) is (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide is CC(C)CN(Cc1cccnc1)C(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VZDQSFRXTJUBAS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)12-24(13-16-6-5-9-22-11-16)21(25)20(23(3)4)17-7-8-18-19(10-17)27-14-26-18/h5-11,15,20H,12-14H2,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide?
(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 126428469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).