N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide

C23H24ClFN4O2 — CID 134479417

IUPACN-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide
SMILESCCC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCC(NC(=O)c1cc(C)ccn1)CC2
InChIInChI=1S/C23H24ClFN4O2/c1-3-20-23(22(31)29(28-20)19-5-4-15(25)13-17(19)24)9-6-16(7-10-23)27-21(30)18-12-14(2)8-11-26-18/h4-5,8,11-13,16H,3,6-7,9-10H2,1-2H3,(H,27,30)
InChIKeyMKJRBTKKOHUMKW-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.65
Rot. Bonds4

About N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide

N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide (PubChem CID 134479417) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide
PubChem CID134479417
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC NameN-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide
SMILESCCC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCC(NC(=O)c1cc(C)ccn1)CC2
InChIInChI=1S/C23H24ClFN4O2/c1-3-20-23(22(31)29(28-20)19-5-4-15(25)13-17(19)24)9-6-16(7-10-23)27-21(30)18-12-14(2)8-11-26-18/h4-5,8,11-13,16H,3,6-7,9-10H2,1-2H3,(H,27,30)
InChIKeyMKJRBTKKOHUMKW-UHFFFAOYSA-N
XLogP4.65
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide (CID 134479417) is N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide is CCC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCC(NC(=O)c1cc(C)ccn1)CC2.
What is the InChIKey of N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide?
The InChIKey is MKJRBTKKOHUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-3-20-23(22(31)29(28-20)19-5-4-15(25)13-17(19)24)9-6-16(7-10-23)27-21(30)18-12-14(2)8-11-26-18/h4-5,8,11-13,16H,3,6-7,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide?
N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 134479417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).