3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide

C12H20N4O — CID 119850313

IUPAC3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C12H20N4O/c1-9(13)6-12(17)15-8-10-4-5-11(14-7-10)16(2)3/h4-5,7,9H,6,8,13H2,1-3H3,(H,15,17)
InChIKeyGKSBNPZYSLJVME-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.50
Rot. Bonds5

About 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide

3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide (PubChem CID 119850313) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
PubChem CID119850313
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(N(C)C)nc1
InChIInChI=1S/C12H20N4O/c1-9(13)6-12(17)15-8-10-4-5-11(14-7-10)16(2)3/h4-5,7,9H,6,8,13H2,1-3H3,(H,15,17)
InChIKeyGKSBNPZYSLJVME-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide (CID 119850313) is 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide is CC(N)CC(=O)NCc1ccc(N(C)C)nc1.
What is the InChIKey of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide?
The InChIKey is GKSBNPZYSLJVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13)6-12(17)15-8-10-4-5-11(14-7-10)16(2)3/h4-5,7,9H,6,8,13H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide?
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide has a molecular weight of 236.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119850313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).