1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C24H38N2O4 — CID 69474703

IUPAC1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCc1c(CCC)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CCCC
InChIInChI=1S/C24H38N2O4/c1-4-7-13-20-18(12-6-3)17-19(22(28)26(20)16-8-5-2)21(27)25-24(23(29)30)14-10-9-11-15-24/h17H,4-16H2,1-3H3,(H,25,27)(H,29,30)
InChIKeyDETIGZQSCUHYAI-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.46
Rot. Bonds11

About 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 69474703) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID69474703
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCc1c(CCC)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CCCC
InChIInChI=1S/C24H38N2O4/c1-4-7-13-20-18(12-6-3)17-19(22(28)26(20)16-8-5-2)21(27)25-24(23(29)30)14-10-9-11-15-24/h17H,4-16H2,1-3H3,(H,25,27)(H,29,30)
InChIKeyDETIGZQSCUHYAI-UHFFFAOYSA-N
XLogP4.46
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 69474703) is 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCCc1c(CCC)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1CCCC.
What is the InChIKey of 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DETIGZQSCUHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-4-7-13-20-18(12-6-3)17-19(22(28)26(20)16-8-5-2)21(27)25-24(23(29)30)14-10-9-11-15-24/h17H,4-16H2,1-3H3,(H,25,27)(H,29,30).
What are the key properties of 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 418.58 g/mol, XLogP of 4.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69474703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).