3-(3,5-dimethyl-4-pyridinyl)butanamide

C11H16N2O — CID 173252399

IUPAC3-(3,5-dimethyl-4-pyridinyl)butanamide
SMILESCc1cncc(C)c1C(C)CC(N)=O
InChIInChI=1S/C11H16N2O/c1-7(4-10(12)14)11-8(2)5-13-6-9(11)3/h5-7H,4H2,1-3H3,(H2,12,14)
InChIKeyWUPLJWKMPHHJQR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds3

About 3-(3,5-dimethyl-4-pyridinyl)butanamide

3-(3,5-dimethyl-4-pyridinyl)butanamide (PubChem CID 173252399) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-pyridinyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-pyridinyl)butanamide
PubChem CID173252399
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(3,5-dimethyl-4-pyridinyl)butanamide
SMILESCc1cncc(C)c1C(C)CC(N)=O
InChIInChI=1S/C11H16N2O/c1-7(4-10(12)14)11-8(2)5-13-6-9(11)3/h5-7H,4H2,1-3H3,(H2,12,14)
InChIKeyWUPLJWKMPHHJQR-UHFFFAOYSA-N
XLogP1.68
TPSA55.98 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-pyridinyl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-4-pyridinyl)butanamide (CID 173252399) is 3-(3,5-dimethyl-4-pyridinyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-pyridinyl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-pyridinyl)butanamide is Cc1cncc(C)c1C(C)CC(N)=O.
What is the InChIKey of 3-(3,5-dimethyl-4-pyridinyl)butanamide?
The InChIKey is WUPLJWKMPHHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(4-10(12)14)11-8(2)5-13-6-9(11)3/h5-7H,4H2,1-3H3,(H2,12,14).
What are the key properties of 3-(3,5-dimethyl-4-pyridinyl)butanamide?
3-(3,5-dimethyl-4-pyridinyl)butanamide has a molecular weight of 192.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-pyridinyl)butanamide is sourced from PubChem (CID 173252399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).