(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C21H24N4O2 — CID 97204970

IUPAC(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(N)nc1)CC2
InChIInChI=1S/C21H24N4O2/c1-24-20(27)17(15-5-3-2-4-6-15)13-21(24)9-11-25(12-10-21)19(26)16-7-8-18(22)23-14-16/h2-8,14,17H,9-13H2,1H3,(H2,22,23)/t17-/m1/s1
InChIKeyJXEQHCZCANRLNQ-QGZVFWFLSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds2

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

(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97204970) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97204970
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(N)nc1)CC2
InChIInChI=1S/C21H24N4O2/c1-24-20(27)17(15-5-3-2-4-6-15)13-21(24)9-11-25(12-10-21)19(26)16-7-8-18(22)23-14-16/h2-8,14,17H,9-13H2,1H3,(H2,22,23)/t17-/m1/s1
InChIKeyJXEQHCZCANRLNQ-QGZVFWFLSA-N
XLogP2.28
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97188134
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
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(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
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1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
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1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
(6-amino-3-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162100
(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97204970) is (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(N)nc1)CC2.
What is the InChIKey of (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JXEQHCZCANRLNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-20(27)17(15-5-3-2-4-6-15)13-21(24)9-11-25(12-10-21)19(26)16-7-8-18(22)23-14-16/h2-8,14,17H,9-13H2,1H3,(H2,22,23)/t17-/m1/s1.
What are the key properties of (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97204970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).