3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid

C24H38N2O4 — CID 69472554

IUPAC3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C24H38N2O4/c1-4-7-14-26-21(11-5-2)17(6-3)15-19(24(26)30)23(29)25-20(16-22(27)28)18-12-9-8-10-13-18/h15,18,20H,4-14,16H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyBUXNWSXCKRCRCQ-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.32
Rot. Bonds11

About 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid

3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid (PubChem CID 69472554) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid
PubChem CID69472554
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C24H38N2O4/c1-4-7-14-26-21(11-5-2)17(6-3)15-19(24(26)30)23(29)25-20(16-22(27)28)18-12-9-8-10-13-18/h15,18,20H,4-14,16H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyBUXNWSXCKRCRCQ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid?
The IUPAC name of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid (CID 69472554) is 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid.
What is the SMILES notation for 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid?
The canonical SMILES for 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid is CCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(=O)O)C2CCCCC2)c1=O.
What is the InChIKey of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid?
The InChIKey is BUXNWSXCKRCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-4-7-14-26-21(11-5-2)17(6-3)15-19(24(26)30)23(29)25-20(16-22(27)28)18-12-9-8-10-13-18/h15,18,20H,4-14,16H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid?
3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid has a molecular weight of 418.58 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-cyclohexylpropanoic acid is sourced from PubChem (CID 69472554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).