N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide

C24H28ClN3O3 — CID 73350585

IUPACN-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1
InChIInChI=1S/C24H28ClN3O3/c1-16(2)20(27-21(29)17-4-3-12-26-14-17)22(30)28-13-11-24(31,23(15-28)9-10-23)18-5-7-19(25)8-6-18/h3-8,12,14,16,20,31H,9-11,13,15H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
InChIKeyINPMLYNZFCJRLY-YKSBVNFPSA-N
MW441.96 g/mol
LogP3.39
Rot. Bonds5

About N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide

N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide (PubChem CID 73350585) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
PubChem CID73350585
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC NameN-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1
InChIInChI=1S/C24H28ClN3O3/c1-16(2)20(27-21(29)17-4-3-12-26-14-17)22(30)28-13-11-24(31,23(15-28)9-10-23)18-5-7-19(25)8-6-18/h3-8,12,14,16,20,31H,9-11,13,15H2,1-2H3,(H,27,29)/t20-,24+/m1/s1
InChIKeyINPMLYNZFCJRLY-YKSBVNFPSA-N
XLogP3.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide (CID 73350585) is N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide is CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1.
What is the InChIKey of N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
The InChIKey is INPMLYNZFCJRLY-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-16(2)20(27-21(29)17-4-3-12-26-14-17)22(30)28-13-11-24(31,23(15-28)9-10-23)18-5-7-19(25)8-6-18/h3-8,12,14,16,20,31H,9-11,13,15H2,1-2H3,(H,27,29)/t20-,24+/m1/s1.
What are the key properties of N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide?
N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(8S)-8-(4-chlorophenyl)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 73350585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).