N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride

C13H23Cl2N3O — CID 119958504

IUPACN,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)N(C)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-11(10-14-2)13(17)16(3)9-6-12-4-7-15-8-5-12;;/h4-5,7-8,11,14H,6,9-10H2,1-3H3;2*1H
InChIKeyVAWFWUXEJQGDSH-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.78
Rot. Bonds6

About N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride

N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride (PubChem CID 119958504) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
PubChem CID119958504
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC NameN,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)N(C)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-11(10-14-2)13(17)16(3)9-6-12-4-7-15-8-5-12;;/h4-5,7-8,11,14H,6,9-10H2,1-3H3;2*1H
InChIKeyVAWFWUXEJQGDSH-UHFFFAOYSA-N
XLogP1.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)acetamide;dihydrochloride
CID 120670650
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109248668
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
4-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]butanoic acid
CID 61227572
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
(2R)-3-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 80756722

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride (CID 119958504) is N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride is CNCC(C)C(=O)N(C)CCc1ccncc1.Cl.Cl.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride?
The InChIKey is VAWFWUXEJQGDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c1-11(10-14-2)13(17)16(3)9-6-12-4-7-15-8-5-12;;/h4-5,7-8,11,14H,6,9-10H2,1-3H3;2*1H.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride?
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119958504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).