2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C17H18N4O3 — CID 70737937

IUPAC2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(N3CCC4(CCO4)CC3)n2)c1
InChIInChI=1S/C17H18N4O3/c22-15(23)12-1-6-18-14(11-12)13-2-7-19-16(20-13)21-8-3-17(4-9-21)5-10-24-17/h1-2,6-7,11H,3-5,8-10H2,(H,22,23)
InChIKeyGUJGNWKBGSAYDS-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.00
Rot. Bonds3

About 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70737937) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70737937
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(N3CCC4(CCO4)CC3)n2)c1
InChIInChI=1S/C17H18N4O3/c22-15(23)12-1-6-18-14(11-12)13-2-7-19-16(20-13)21-8-3-17(4-9-21)5-10-24-17/h1-2,6-7,11H,3-5,8-10H2,(H,22,23)
InChIKeyGUJGNWKBGSAYDS-UHFFFAOYSA-N
XLogP2.00
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70737937) is 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(N3CCC4(CCO4)CC3)n2)c1.
What is the InChIKey of 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is GUJGNWKBGSAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-15(23)12-1-6-18-14(11-12)13-2-7-19-16(20-13)21-8-3-17(4-9-21)5-10-24-17/h1-2,6-7,11H,3-5,8-10H2,(H,22,23).
What are the key properties of 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70737937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).