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

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Related Compounds

2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
2-amino-2-cyclopropyl-N-(6-oxo-1-propyl-3-pyridinyl)propanamide
CID 54862603
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 113312813
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-amino-4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)pentanamide
CID 54862542
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555

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).