2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide

C13H21N3O2 — CID 97181469

IUPAC2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC(C)C)c(=O)c1N
InChIInChI=1S/C13H21N3O2/c1-8(2)6-15-11(17)7-16-10(4)5-9(3)12(14)13(16)18/h5,8H,6-7,14H2,1-4H3,(H,15,17)
InChIKeyMTGLLWDZLALIBA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.82
Rot. Bonds4

About 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide

2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide (PubChem CID 97181469) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
PubChem CID97181469
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC(C)C)c(=O)c1N
InChIInChI=1S/C13H21N3O2/c1-8(2)6-15-11(17)7-16-10(4)5-9(3)12(14)13(16)18/h5,8H,6-7,14H2,1-4H3,(H,15,17)
InChIKeyMTGLLWDZLALIBA-UHFFFAOYSA-N
XLogP0.82
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide (CID 97181469) is 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide is Cc1cc(C)n(CC(=O)NCC(C)C)c(=O)c1N.
What is the InChIKey of 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide?
The InChIKey is MTGLLWDZLALIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)6-15-11(17)7-16-10(4)5-9(3)12(14)13(16)18/h5,8H,6-7,14H2,1-4H3,(H,15,17).
What are the key properties of 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide?
2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 97181469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).