2-ethyl-N-(pyridin-3-ylmethyl)butanamide

C12H18N2O — CID 823658

IUPAC2-ethyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1cccnc1
InChIInChI=1S/C12H18N2O/c1-3-11(4-2)12(15)14-9-10-6-5-7-13-8-10/h5-8,11H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyKXHDWIMDZWKSAU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.13
Rot. Bonds5

About 2-ethyl-N-(pyridin-3-ylmethyl)butanamide

2-ethyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 823658) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID823658
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-ethyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1cccnc1
InChIInChI=1S/C12H18N2O/c1-3-11(4-2)12(15)14-9-10-6-5-7-13-8-10/h5-8,11H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyKXHDWIMDZWKSAU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-N-(pyridin-3-ylmethyl)butanamide (CID 823658) is 2-ethyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(pyridin-3-ylmethyl)butanamide is CCC(CC)C(=O)NCc1cccnc1.
What is the InChIKey of 2-ethyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is KXHDWIMDZWKSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-11(4-2)12(15)14-9-10-6-5-7-13-8-10/h5-8,11H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-N-(pyridin-3-ylmethyl)butanamide?
2-ethyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 206.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 823658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).