3-methyl-N-(2-pyridin-4-ylethyl)butanamide

C12H18N2O — CID 934804

IUPAC3-methyl-N-(2-pyridin-4-ylethyl)butanamide
SMILESCC(C)CC(=O)NCCc1ccncc1
InChIInChI=1S/C12H18N2O/c1-10(2)9-12(15)14-8-5-11-3-6-13-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)
InChIKeyHLFDELALQWLQQO-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.79
Rot. Bonds5

About 3-methyl-N-(2-pyridin-4-ylethyl)butanamide

3-methyl-N-(2-pyridin-4-ylethyl)butanamide (PubChem CID 934804) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-4-ylethyl)butanamide
PubChem CID934804
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-N-(2-pyridin-4-ylethyl)butanamide
SMILESCC(C)CC(=O)NCCc1ccncc1
InChIInChI=1S/C12H18N2O/c1-10(2)9-12(15)14-8-5-11-3-6-13-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)
InChIKeyHLFDELALQWLQQO-UHFFFAOYSA-N
XLogP1.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-4-ylethyl)butanamide?
The IUPAC name of 3-methyl-N-(2-pyridin-4-ylethyl)butanamide (CID 934804) is 3-methyl-N-(2-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-4-ylethyl)butanamide is CC(C)CC(=O)NCCc1ccncc1.
What is the InChIKey of 3-methyl-N-(2-pyridin-4-ylethyl)butanamide?
The InChIKey is HLFDELALQWLQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)9-12(15)14-8-5-11-3-6-13-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(2-pyridin-4-ylethyl)butanamide?
3-methyl-N-(2-pyridin-4-ylethyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 934804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).