6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid

C17H26N2O4 — CID 39150934

IUPAC6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
SMILESCc1cccn(CC(C)(C)C(=O)NCCCCCC(=O)O)c1=O
InChIInChI=1S/C17H26N2O4/c1-13-8-7-11-19(15(13)22)12-17(2,3)16(23)18-10-6-4-5-9-14(20)21/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyFZBIDVHWLLNOMT-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.94
Rot. Bonds9

About 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid

6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid (PubChem CID 39150934) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
PubChem CID39150934
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
SMILESCc1cccn(CC(C)(C)C(=O)NCCCCCC(=O)O)c1=O
InChIInChI=1S/C17H26N2O4/c1-13-8-7-11-19(15(13)22)12-17(2,3)16(23)18-10-6-4-5-9-14(20)21/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyFZBIDVHWLLNOMT-UHFFFAOYSA-N
XLogP1.94
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid with MolForge

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Related Compounds

4-[[3-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylpropanoyl]amino]butanoic acid
CID 92940775
7-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]heptanoic acid
CID 119227273
8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
CID 120535591
N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 92941979
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
7-[(2-methoxy-2-phenylpropanoyl)amino]heptanoic acid
CID 119227666
6-[[3-(4-formylphenoxy)-2,2-dimethylpropanoyl]amino]hexanoic acid
CID 39186936
5-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]pentanoic acid
CID 119234391
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 43091712
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
6-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]hexanoic acid
CID 122107628

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid (CID 39150934) is 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid is Cc1cccn(CC(C)(C)C(=O)NCCCCCC(=O)O)c1=O.
What is the InChIKey of 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The InChIKey is FZBIDVHWLLNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-8-7-11-19(15(13)22)12-17(2,3)16(23)18-10-6-4-5-9-14(20)21/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,18,23)(H,20,21).
What are the key properties of 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid has a molecular weight of 322.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid is sourced from PubChem (CID 39150934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).