7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one

C16H21N5O2 — CID 134073213

IUPAC7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CCNN1)N1CCC2(CC(=O)N(c3cccnc3)C2)C1
InChIInChI=1S/C16H21N5O2/c22-14-8-16(11-21(14)12-2-1-5-17-9-12)4-7-20(10-16)15(23)13-3-6-18-19-13/h1-2,5,9,13,18-19H,3-4,6-8,10-11H2
InChIKeyLSPAIHHNYDNEIL-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.10
Rot. Bonds2

About 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 134073213) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID134073213
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CCNN1)N1CCC2(CC(=O)N(c3cccnc3)C2)C1
InChIInChI=1S/C16H21N5O2/c22-14-8-16(11-21(14)12-2-1-5-17-9-12)4-7-20(10-16)15(23)13-3-6-18-19-13/h1-2,5,9,13,18-19H,3-4,6-8,10-11H2
InChIKeyLSPAIHHNYDNEIL-UHFFFAOYSA-N
XLogP-0.10
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 134073213) is 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(C1CCNN1)N1CCC2(CC(=O)N(c3cccnc3)C2)C1.
What is the InChIKey of 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is LSPAIHHNYDNEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-14-8-16(11-21(14)12-2-1-5-17-9-12)4-7-20(10-16)15(23)13-3-6-18-19-13/h1-2,5,9,13,18-19H,3-4,6-8,10-11H2.
What are the key properties of 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 315.38 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrazolidine-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 134073213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).