N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride

C12H21Cl2N3O — CID 119582548

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-10(9-13)15(2)12(16)4-3-11-5-7-14-8-6-11;;/h5-8,10H,3-4,9,13H2,1-2H3;2*1H
InChIKeyMBKYNZJJNBOEBD-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.66
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride

N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride (PubChem CID 119582548) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
PubChem CID119582548
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-10(9-13)15(2)12(16)4-3-11-5-7-14-8-6-11;;/h5-8,10H,3-4,9,13H2,1-2H3;2*1H
InChIKeyMBKYNZJJNBOEBD-UHFFFAOYSA-N
XLogP1.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
N-(1-aminopropan-2-yl)-3-(2,5-difluorophenyl)-N-methylpropanamide;hydrochloride
CID 119584126

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride (CID 119582548) is N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride is CC(CN)N(C)C(=O)CCc1ccncc1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride?
The InChIKey is MBKYNZJJNBOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-10(9-13)15(2)12(16)4-3-11-5-7-14-8-6-11;;/h5-8,10H,3-4,9,13H2,1-2H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119582548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).