(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide

C13H21N3O2 — CID 94775944

IUPAC(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
SMILESCCO[C@H](C)C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-5-18-10(2)13(17)15-9-11-7-6-8-14-12(11)16(3)4/h6-8,10H,5,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyZSZHYUFNCHPSTD-SNVBAGLBSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds6

About (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide (PubChem CID 94775944) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
PubChem CID94775944
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
SMILESCCO[C@H](C)C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C13H21N3O2/c1-5-18-10(2)13(17)15-9-11-7-6-8-14-12(11)16(3)4/h6-8,10H,5,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyZSZHYUFNCHPSTD-SNVBAGLBSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine;hydroiodide
CID 111718329
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
4-tert-butyl-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46470503
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide (CID 94775944) is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide is CCO[C@H](C)C(=O)NCc1cccnc1N(C)C.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide?
The InChIKey is ZSZHYUFNCHPSTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-18-10(2)13(17)15-9-11-7-6-8-14-12(11)16(3)4/h6-8,10H,5,9H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide?
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide is sourced from PubChem (CID 94775944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).