2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide

C14H22N2O2 — CID 47381635

IUPAC2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)C(CC)CC)ccc1=O
InChIInChI=1S/C14H22N2O2/c1-4-9-16-10-12(7-8-13(16)17)15-14(18)11(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,18)
InChIKeyZMDSDZKUOHAIBT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.63
Rot. Bonds6

About 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide

2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (PubChem CID 47381635) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
PubChem CID47381635
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)C(CC)CC)ccc1=O
InChIInChI=1S/C14H22N2O2/c1-4-9-16-10-12(7-8-13(16)17)15-14(18)11(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,18)
InChIKeyZMDSDZKUOHAIBT-UHFFFAOYSA-N
XLogP2.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The IUPAC name of 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (CID 47381635) is 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is CCCn1cc(NC(=O)C(CC)CC)ccc1=O.
What is the InChIKey of 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The InChIKey is ZMDSDZKUOHAIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-16-10-12(7-8-13(16)17)15-14(18)11(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,18).
What are the key properties of 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is sourced from PubChem (CID 47381635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).