N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride

C12H21Cl2N3O — CID 120832475

IUPACN-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
SMILESCNC(C)CNC(=O)CCc1ccccn1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-10(13-2)9-15-12(16)7-6-11-5-3-4-8-14-11;;/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,15,16);2*1H
InChIKeyFYRXHVWQTWJUTL-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride

N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride (PubChem CID 120832475) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
PubChem CID120832475
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC NameN-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
SMILESCNC(C)CNC(=O)CCc1ccccn1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-10(13-2)9-15-12(16)7-6-11-5-3-4-8-14-11;;/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,15,16);2*1H
InChIKeyFYRXHVWQTWJUTL-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide;dihydrochloride
CID 120831636
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
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CID 107300042
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride (CID 120832475) is N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride is CNC(C)CNC(=O)CCc1ccccn1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride?
The InChIKey is FYRXHVWQTWJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-10(13-2)9-15-12(16)7-6-11-5-3-4-8-14-11;;/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,15,16);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride?
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride is sourced from PubChem (CID 120832475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).