3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide

C12H20N4O — CID 104870323

IUPAC3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1ccc(N)nc1
InChIInChI=1S/C12H20N4O/c1-9(12(17)14-2)7-16(3)8-10-4-5-11(13)15-6-10/h4-6,9H,7-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyMLTOAWKXQYIKNJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds5

About 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide

3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 104870323) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID104870323
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1ccc(N)nc1
InChIInChI=1S/C12H20N4O/c1-9(12(17)14-2)7-16(3)8-10-4-5-11(13)15-6-10/h4-6,9H,7-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyMLTOAWKXQYIKNJ-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]methyl]phenyl]acetic acid
CID 106916306
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
CID 75439559
3-[(2-amino-4-bromophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914748
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
CID 112659934
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide (CID 104870323) is 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)Cc1ccc(N)nc1.
What is the InChIKey of 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is MLTOAWKXQYIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(12(17)14-2)7-16(3)8-10-4-5-11(13)15-6-10/h4-6,9H,7-8H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide?
3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-pyridinyl)methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 104870323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).