(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride

C11H20Cl2N4O — CID 119850304

IUPAC(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCc1ccc(N(C)C)nc1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-8(12)11(16)14-7-9-4-5-10(13-6-9)15(2)3;;/h4-6,8H,7,12H2,1-3H3,(H,14,16);2*1H/t8-;;/m1../s1
InChIKeyLWGLEAGKJGOUAB-YCBDHFTFSA-N
MW295.21 g/mol
LogP0.95
Rot. Bonds4

About (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride

(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride (PubChem CID 119850304) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
PubChem CID119850304
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCc1ccc(N(C)C)nc1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-8(12)11(16)14-7-9-4-5-10(13-6-9)15(2)3;;/h4-6,8H,7,12H2,1-3H3,(H,14,16);2*1H/t8-;;/m1../s1
InChIKeyLWGLEAGKJGOUAB-YCBDHFTFSA-N
XLogP0.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
(2R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 94750528
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2S)-2-amino-N-[(6-bromo-3-pyridinyl)methyl]-3-methylbutanamide
CID 66568601
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 94029340
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride (CID 119850304) is (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NCc1ccc(N(C)C)nc1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
The InChIKey is LWGLEAGKJGOUAB-YCBDHFTFSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-8(12)11(16)14-7-9-4-5-10(13-6-9)15(2)3;;/h4-6,8H,7,12H2,1-3H3,(H,14,16);2*1H/t8-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119850304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).