4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide

C13H21N3O2 — CID 81075823

IUPAC4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)CC(C)CN)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-3-6-16-9-11(4-5-13(16)18)15-12(17)7-10(2)8-14/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,17)
InChIKeyRDONMPIJUJARIE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds6

About 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide

4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (PubChem CID 81075823) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
PubChem CID81075823
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
SMILESCCCn1cc(NC(=O)CC(C)CN)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-3-6-16-9-11(4-5-13(16)18)15-12(17)7-10(2)8-14/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,17)
InChIKeyRDONMPIJUJARIE-UHFFFAOYSA-N
XLogP1.18
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 115431967
N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
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
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 113312813
2-(cyclopropylamino)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 54862565

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide (CID 81075823) is 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is CCCn1cc(NC(=O)CC(C)CN)ccc1=O.
What is the InChIKey of 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
The InChIKey is RDONMPIJUJARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-6-16-9-11(4-5-13(16)18)15-12(17)7-10(2)8-14/h4-5,9-10H,3,6-8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide?
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide is sourced from PubChem (CID 81075823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).