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

C15H25N3O2 — CID 115431967

IUPAC2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)C(CC)(CC)CN)ccc1=O
InChIInChI=1S/C15H25N3O2/c1-4-9-18-10-12(7-8-13(18)19)17-14(20)15(5-2,6-3)11-16/h7-8,10H,4-6,9,11,16H2,1-3H3,(H,17,20)
InChIKeyHOUCNQMBCMTINZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds7

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

2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (PubChem CID 115431967) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
PubChem CID115431967
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)C(CC)(CC)CN)ccc1=O
InChIInChI=1S/C15H25N3O2/c1-4-9-18-10-12(7-8-13(18)19)17-14(20)15(5-2,6-3)11-16/h7-8,10H,4-6,9,11,16H2,1-3H3,(H,17,20)
InChIKeyHOUCNQMBCMTINZ-UHFFFAOYSA-N
XLogP1.96
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (CID 115431967) is 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is CCCn1cc(NC(=O)C(CC)(CC)CN)ccc1=O.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The InChIKey is HOUCNQMBCMTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-9-18-10-12(7-8-13(18)19)17-14(20)15(5-2,6-3)11-16/h7-8,10H,4-6,9,11,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is sourced from PubChem (CID 115431967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).