3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide

C12H20N4O — CID 106914478

IUPAC3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncccc1CN
InChIInChI=1S/C12H20N4O/c1-9(12(17)14-2)8-16(3)11-10(7-13)5-4-6-15-11/h4-6,9H,7-8,13H2,1-3H3,(H,14,17)
InChIKeyLUDJEWJLYKNNIZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.36
Rot. Bonds5

About 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide

3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914478) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106914478
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncccc1CN
InChIInChI=1S/C12H20N4O/c1-9(12(17)14-2)8-16(3)11-10(7-13)5-4-6-15-11/h4-6,9H,7-8,13H2,1-3H3,(H,14,17)
InChIKeyLUDJEWJLYKNNIZ-UHFFFAOYSA-N
XLogP0.36
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918785
3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917464
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918799
2-[[3-(aminomethyl)-2-pyridinyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922923

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide (CID 106914478) is 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ncccc1CN.
What is the InChIKey of 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is LUDJEWJLYKNNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(12(17)14-2)8-16(3)11-10(7-13)5-4-6-15-11/h4-6,9H,7-8,13H2,1-3H3,(H,14,17).
What are the key properties of 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide?
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).