2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one

C20H24N4O2 — CID 131688959

IUPAC2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(CCc1ccc[nH]1)N1CCCC2(CCN(c3cccnc3)C2=O)C1
InChIInChI=1S/C20H24N4O2/c25-18(7-6-16-4-1-11-22-16)23-12-3-8-20(15-23)9-13-24(19(20)26)17-5-2-10-21-14-17/h1-2,4-5,10-11,14,22H,3,6-9,12-13,15H2
InChIKeyOSVUPKOKMNNYDX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.39
Rot. Bonds4

About 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one

2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131688959) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131688959
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(CCc1ccc[nH]1)N1CCCC2(CCN(c3cccnc3)C2=O)C1
InChIInChI=1S/C20H24N4O2/c25-18(7-6-16-4-1-11-22-16)23-12-3-8-20(15-23)9-13-24(19(20)26)17-5-2-10-21-14-17/h1-2,4-5,10-11,14,22H,3,6-9,12-13,15H2
InChIKeyOSVUPKOKMNNYDX-UHFFFAOYSA-N
XLogP2.39
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
9-[2-(1-methoxycyclobutyl)acetyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131688887
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107
2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472
(5R)-7-(cyclopropylmethyl)-2-(3-pyridin-3-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156301
8-[2-(1-hydroxycyclobutyl)acetyl]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690170
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 98778255

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131688959) is 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one is O=C(CCc1ccc[nH]1)N1CCCC2(CCN(c3cccnc3)C2=O)C1.
What is the InChIKey of 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OSVUPKOKMNNYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(7-6-16-4-1-11-22-16)23-12-3-8-20(15-23)9-13-24(19(20)26)17-5-2-10-21-14-17/h1-2,4-5,10-11,14,22H,3,6-9,12-13,15H2.
What are the key properties of 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 352.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131688959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).