(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H21N3O2 — CID 97471880

IUPAC(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(C(=O)c3ccncc3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H21N3O2/c1-22-12-9-20(19(22)25)14-23(18(24)16-7-10-21-11-8-16)13-17(20)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-14H2,1H3/t17-,20+/m0/s1
InChIKeyMKOPZONQXZSGRO-FXAWDEMLSA-N
MW335.41 g/mol
LogP2.17
Rot. Bonds2

About (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471880) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471880
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(C(=O)c3ccncc3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H21N3O2/c1-22-12-9-20(19(22)25)14-23(18(24)16-7-10-21-11-8-16)13-17(20)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-14H2,1H3/t17-,20+/m0/s1
InChIKeyMKOPZONQXZSGRO-FXAWDEMLSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,9R)-2-methyl-9-phenyl-7-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124821965
(5S,9S)-2,9-dimethyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155847909
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131681723
(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471900
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124820093
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452819
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
(5S,9S)-9-phenyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 127023256
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 134690512
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471880) is (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@]2(CN(C(=O)c3ccncc3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MKOPZONQXZSGRO-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-12-9-20(19(22)25)14-23(18(24)16-7-10-21-11-8-16)13-17(20)15-5-3-2-4-6-15/h2-8,10-11,17H,9,12-14H2,1H3/t17-,20+/m0/s1.
What are the key properties of (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).