3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride

C11H19Cl2N3O — CID 119958236

IUPAC3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)N(C)Cc1cccnc1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-9(12)6-11(15)14(2)8-10-4-3-5-13-7-10;;/h3-5,7,9H,6,8,12H2,1-2H3;2*1H
InChIKeyCMYMWKRSVVBCAK-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride

3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride (PubChem CID 119958236) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
PubChem CID119958236
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)N(C)Cc1cccnc1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-9(12)6-11(15)14(2)8-10-4-3-5-13-7-10;;/h3-5,7,9H,6,8,12H2,1-2H3;2*1H
InChIKeyCMYMWKRSVVBCAK-UHFFFAOYSA-N
XLogP1.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride (CID 119958236) is 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride is CC(N)CC(=O)N(C)Cc1cccnc1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride?
The InChIKey is CMYMWKRSVVBCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-9(12)6-11(15)14(2)8-10-4-3-5-13-7-10;;/h3-5,7,9H,6,8,12H2,1-2H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride?
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119958236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).