3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide

C12H20N4O — CID 106914569

IUPAC3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(CN)c1cccnc1
InChIInChI=1S/C12H20N4O/c1-14-12(17)5-7-16(2)11(8-13)10-4-3-6-15-9-10/h3-4,6,9,11H,5,7-8,13H2,1-2H3,(H,14,17)
InChIKeyYBPBSDHLXQQAOD-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.15
Rot. Bonds6

About 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide

3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide (PubChem CID 106914569) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
PubChem CID106914569
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(CN)c1cccnc1
InChIInChI=1S/C12H20N4O/c1-14-12(17)5-7-16(2)11(8-13)10-4-3-6-15-9-10/h3-4,6,9,11H,5,7-8,13H2,1-2H3,(H,14,17)
InChIKeyYBPBSDHLXQQAOD-UHFFFAOYSA-N
XLogP0.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
3-amino-N-methyl-2-pyridin-3-ylpropanamide
CID 119030789
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
CID 106914853
bis[acetyl-(2-amino-1-pyridin-3-ylethyl)amino] oxalate
CID 139898944
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide (CID 106914569) is 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C(CN)c1cccnc1.
What is the InChIKey of 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide?
The InChIKey is YBPBSDHLXQQAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-14-12(17)5-7-16(2)11(8-13)10-4-3-6-15-9-10/h3-4,6,9,11H,5,7-8,13H2,1-2H3,(H,14,17).
What are the key properties of 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide?
3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).