2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C18H19N5O3 — CID 70722822

IUPAC2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C1CC2(CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)CC2)CN1
InChIInChI=1S/C18H19N5O3/c24-15-10-18(11-21-15)3-7-23(8-4-18)17-20-6-2-13(22-17)14-9-12(16(25)26)1-5-19-14/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,21,24)(H,25,26)
InChIKeyXVUUQHZXVPUPLB-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.34
Rot. Bonds3

About 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70722822) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70722822
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C1CC2(CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)CC2)CN1
InChIInChI=1S/C18H19N5O3/c24-15-10-18(11-21-15)3-7-23(8-4-18)17-20-6-2-13(22-17)14-9-12(16(25)26)1-5-19-14/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,21,24)(H,25,26)
InChIKeyXVUUQHZXVPUPLB-UHFFFAOYSA-N
XLogP1.34
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70722822) is 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C1CC2(CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)CC2)CN1.
What is the InChIKey of 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is XVUUQHZXVPUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-15-10-18(11-21-15)3-7-23(8-4-18)17-20-6-2-13(22-17)14-9-12(16(25)26)1-5-19-14/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,21,24)(H,25,26).
What are the key properties of 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70722822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).