6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid

C15H23NO3 — CID 82523612

IUPAC6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid
SMILESCCCCCn1c(C(C)(C)C)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H23NO3/c1-5-6-7-10-16-12(15(2,3)4)9-8-11(13(16)17)14(18)19/h8-9H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyHNTOODDYFXIOAB-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.03
Rot. Bonds5

About 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid

6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid (PubChem CID 82523612) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid
PubChem CID82523612
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid
SMILESCCCCCn1c(C(C)(C)C)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H23NO3/c1-5-6-7-10-16-12(15(2,3)4)9-8-11(13(16)17)14(18)19/h8-9H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyHNTOODDYFXIOAB-UHFFFAOYSA-N
XLogP3.03
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
CID 82523698
3-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)propanoic acid
CID 82523689
3-(bromomethyl)-1-butyl-6-tert-butylpyridin-2-one
CID 82523700
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82524202
2-tert-butyl-3-pentylbenzimidazole-4-carboxylic acid
CID 115932801
6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
CID 105477493
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
2-methyl-1-pentylpyrrole-3-carboxylic acid
CID 84618035
1-but-3-ynyl-6-methyl-2-oxopyridine-3-carboxylic acid
CID 63656074

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid?
The IUPAC name of 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid (CID 82523612) is 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid is CCCCCn1c(C(C)(C)C)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid?
The InChIKey is HNTOODDYFXIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-7-10-16-12(15(2,3)4)9-8-11(13(16)17)14(18)19/h8-9H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid?
6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid is sourced from PubChem (CID 82523612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).