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

C21H32N2O4 — CID 69474431

IUPAC1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C21H32N2O4/c1-4-7-13-23-17(10-5-2)15(6-3)14-16(19(23)25)18(24)22-21(20(26)27)11-8-9-12-21/h14H,4-13H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyCXWYGMWLDZBAOF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.29
Rot. Bonds9

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

1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 69474431) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID69474431
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C21H32N2O4/c1-4-7-13-23-17(10-5-2)15(6-3)14-16(19(23)25)18(24)22-21(20(26)27)11-8-9-12-21/h14H,4-13H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyCXWYGMWLDZBAOF-UHFFFAOYSA-N
XLogP3.29
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 69474431) is 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCCn1c(CCC)c(CC)cc(C(=O)NC2(C(=O)O)CCCC2)c1=O.
What is the InChIKey of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CXWYGMWLDZBAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-4-7-13-23-17(10-5-2)15(6-3)14-16(19(23)25)18(24)22-21(20(26)27)11-8-9-12-21/h14H,4-13H2,1-3H3,(H,22,24)(H,26,27).
What are the key properties of 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).