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

C24H38N2O4 — CID 59718889

IUPACethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2C(=O)OCC)c1=O
InChIInChI=1S/C24H38N2O4/c1-5-9-15-26-21(12-6-2)17(7-3)16-19(23(26)28)22(27)25-20-14-11-10-13-18(20)24(29)30-8-4/h16,18,20H,5-15H2,1-4H3,(H,25,27)
InChIKeyKWUIRHOYAAEKMO-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.01
Rot. Bonds10

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

ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 59718889) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID59718889
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Nameethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2C(=O)OCC)c1=O
InChIInChI=1S/C24H38N2O4/c1-5-9-15-26-21(12-6-2)17(7-3)16-19(23(26)28)22(27)25-20-14-11-10-13-18(20)24(29)30-8-4/h16,18,20H,5-15H2,1-4H3,(H,25,27)
InChIKeyKWUIRHOYAAEKMO-UHFFFAOYSA-N
XLogP4.01
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 59718889) is ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is CCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2C(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is KWUIRHOYAAEKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-5-9-15-26-21(12-6-2)17(7-3)16-19(23(26)28)22(27)25-20-14-11-10-13-18(20)24(29)30-8-4/h16,18,20H,5-15H2,1-4H3,(H,25,27).
What are the key properties of ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 418.58 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 59718889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).