(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C18H20N4O2 — CID 97469794

IUPAC(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1
InChIInChI=1S/C18H20N4O2/c23-16-11-14(13-3-1-7-19-12-13)18(21-16)5-9-22(10-6-18)17(24)15-4-2-8-20-15/h1-4,7-8,12,14,20H,5-6,9-11H2,(H,21,23)/t14-/m0/s1
InChIKeyHMLSNAJWNRUADT-AWEZNQCLSA-N
MW324.38 g/mol
LogP1.69
Rot. Bonds2

About (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469794) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469794
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1
InChIInChI=1S/C18H20N4O2/c23-16-11-14(13-3-1-7-19-12-13)18(21-16)5-9-22(10-6-18)17(24)15-4-2-8-20-15/h1-4,7-8,12,14,20H,5-6,9-11H2,(H,21,23)/t14-/m0/s1
InChIKeyHMLSNAJWNRUADT-AWEZNQCLSA-N
XLogP1.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776
8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134074654
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97384074
8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131648127
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
8-(4-methylbenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070711
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131656109

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97469794) is (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1C[C@@H](c2cccnc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1.
What is the InChIKey of (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HMLSNAJWNRUADT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-16-11-14(13-3-1-7-19-12-13)18(21-16)5-9-22(10-6-18)17(24)15-4-2-8-20-15/h1-4,7-8,12,14,20H,5-6,9-11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).