5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one

C12H21N3O — CID 57180576

IUPAC5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one
SMILESCCCCc1c(CN(C)C)c(N)c[nH]c1=O
InChIInChI=1S/C12H21N3O/c1-4-5-6-9-10(8-15(2)3)11(13)7-14-12(9)16/h7H,4-6,8,13H2,1-3H3,(H,14,16)
InChIKeyUFIYNWPPVFLSLK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.36
Rot. Bonds5

About 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one

5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one (PubChem CID 57180576) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one
PubChem CID57180576
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one
SMILESCCCCc1c(CN(C)C)c(N)c[nH]c1=O
InChIInChI=1S/C12H21N3O/c1-4-5-6-9-10(8-15(2)3)11(13)7-14-12(9)16/h7H,4-6,8,13H2,1-3H3,(H,14,16)
InChIKeyUFIYNWPPVFLSLK-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one (CID 57180576) is 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one is CCCCc1c(CN(C)C)c(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one?
The InChIKey is UFIYNWPPVFLSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-9-10(8-15(2)3)11(13)7-14-12(9)16/h7H,4-6,8,13H2,1-3H3,(H,14,16).
What are the key properties of 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one?
5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-4-[(dimethylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 57180576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).