3-methyl-N-(6-methyl-2-pyridinyl)butanamide

C11H16N2O — CID 1222993

IUPAC3-methyl-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)CC(C)C)n1
InChIInChI=1S/C11H16N2O/c1-8(2)7-11(14)13-10-6-4-5-9(3)12-10/h4-6,8H,7H2,1-3H3,(H,12,13,14)
InChIKeyYOCDEDCYUMTKBT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.37
Rot. Bonds3

About 3-methyl-N-(6-methyl-2-pyridinyl)butanamide

3-methyl-N-(6-methyl-2-pyridinyl)butanamide (PubChem CID 1222993) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-2-pyridinyl)butanamide
PubChem CID1222993
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)CC(C)C)n1
InChIInChI=1S/C11H16N2O/c1-8(2)7-11(14)13-10-6-4-5-9(3)12-10/h4-6,8H,7H2,1-3H3,(H,12,13,14)
InChIKeyYOCDEDCYUMTKBT-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
The IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)butanamide (CID 1222993) is 3-methyl-N-(6-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 3-methyl-N-(6-methyl-2-pyridinyl)butanamide is Cc1cccc(NC(=O)CC(C)C)n1.
What is the InChIKey of 3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
The InChIKey is YOCDEDCYUMTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)7-11(14)13-10-6-4-5-9(3)12-10/h4-6,8H,7H2,1-3H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
3-methyl-N-(6-methyl-2-pyridinyl)butanamide has a molecular weight of 192.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 1222993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).