(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C21H23N3O3 — CID 97203710

IUPAC(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c[nH]1
InChIInChI=1S/C21H23N3O3/c1-14-11-18(25)17(13-22-14)20(27)24-9-7-21(8-10-24)12-16(19(26)23-21)15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyLYWZCSUGMGWEPO-MRXNPFEDSA-N
MW365.43 g/mol
LogP1.96
Rot. Bonds2

About (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97203710) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97203710
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c[nH]1
InChIInChI=1S/C21H23N3O3/c1-14-11-18(25)17(13-22-14)20(27)24-9-7-21(8-10-24)12-16(19(26)23-21)15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyLYWZCSUGMGWEPO-MRXNPFEDSA-N
XLogP1.96
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97203710) is (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1cc(=O)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c[nH]1.
What is the InChIKey of (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LYWZCSUGMGWEPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-11-18(25)17(13-22-14)20(27)24-9-7-21(8-10-24)12-16(19(26)23-21)15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 365.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97203710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).