3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide

C14H23N3O2 — CID 91831436

IUPAC3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C14H23N3O2/c1-9-7-16-12(11(3)14(9)19)8-17(5)10(2)6-13(18)15-4/h7,10H,6,8H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyAGHZVANZQVGDOD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.95
Rot. Bonds5

About 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide

3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide (PubChem CID 91831436) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide
PubChem CID91831436
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C14H23N3O2/c1-9-7-16-12(11(3)14(9)19)8-17(5)10(2)6-13(18)15-4/h7,10H,6,8H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyAGHZVANZQVGDOD-UHFFFAOYSA-N
XLogP0.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide (CID 91831436) is 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide is CNC(=O)CC(C)N(C)Cc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide?
The InChIKey is AGHZVANZQVGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-7-16-12(11(3)14(9)19)8-17(5)10(2)6-13(18)15-4/h7,10H,6,8H2,1-5H3,(H,15,18)(H,16,19).
What are the key properties of 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide?
3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 91831436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).