2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide

C11H16N4O2 — CID 54928060

IUPAC2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
SMILESCN(Cc1cccnc1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H16N4O2/c1-15(7-8-3-2-4-14-6-8)11(17)9(12)5-10(13)16/h2-4,6,9H,5,7,12H2,1H3,(H2,13,16)
InChIKeyZLJCYFKDFJVJBI-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.76
Rot. Bonds5

About 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide

2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide (PubChem CID 54928060) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
PubChem CID54928060
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
SMILESCN(Cc1cccnc1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H16N4O2/c1-15(7-8-3-2-4-14-6-8)11(17)9(12)5-10(13)16/h2-4,6,9H,5,7,12H2,1H3,(H2,13,16)
InChIKeyZLJCYFKDFJVJBI-UHFFFAOYSA-N
XLogP-0.76
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 61155412
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 64896517
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide?
The IUPAC name of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide (CID 54928060) is 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide.
What is the SMILES notation for 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide?
The canonical SMILES for 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide is CN(Cc1cccnc1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide?
The InChIKey is ZLJCYFKDFJVJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(7-8-3-2-4-14-6-8)11(17)9(12)5-10(13)16/h2-4,6,9H,5,7,12H2,1H3,(H2,13,16).
What are the key properties of 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide?
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide has a molecular weight of 236.27 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide is sourced from PubChem (CID 54928060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).