N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide

C22H24ClN3O2 — CID 75951009

IUPACN-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCC3(CCN(c4cccc(Cl)c4)C3=O)C2)n1
InChIInChI=1S/C22H24ClN3O2/c1-15-5-2-9-19(24-15)20(27)25-17-7-4-10-22(14-17)11-12-26(21(22)28)18-8-3-6-16(23)13-18/h2-3,5-6,8-9,13,17H,4,7,10-12,14H2,1H3,(H,25,27)
InChIKeyLSOQKKABIYIUBM-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.14
Rot. Bonds3

About N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide

N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide (PubChem CID 75951009) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
PubChem CID75951009
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCC3(CCN(c4cccc(Cl)c4)C3=O)C2)n1
InChIInChI=1S/C22H24ClN3O2/c1-15-5-2-9-19(24-15)20(27)25-17-7-4-10-22(14-17)11-12-26(21(22)28)18-8-3-6-16(23)13-18/h2-3,5-6,8-9,13,17H,4,7,10-12,14H2,1H3,(H,25,27)
InChIKeyLSOQKKABIYIUBM-UHFFFAOYSA-N
XLogP4.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide (CID 75951009) is N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC2CCCC3(CCN(c4cccc(Cl)c4)C3=O)C2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is LSOQKKABIYIUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-5-2-9-19(24-15)20(27)25-17-7-4-10-22(14-17)11-12-26(21(22)28)18-8-3-6-16(23)13-18/h2-3,5-6,8-9,13,17H,4,7,10-12,14H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 75951009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).