2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile

C18H18FN3O2 — CID 162442435

IUPAC2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
SMILESCc1ccc(F)c(C(=O)N2CC3(C=C(C#N)C(=O)C(C)(C)C3)C2)n1
InChIInChI=1S/C18H18FN3O2/c1-11-4-5-13(19)14(21-11)16(24)22-9-18(10-22)6-12(7-20)15(23)17(2,3)8-18/h4-6H,8-10H2,1-3H3
InChIKeyJVEGJNMBRLSPNC-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.42
Rot. Bonds1

About 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile

2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile (PubChem CID 162442435) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
PubChem CID162442435
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
SMILESCc1ccc(F)c(C(=O)N2CC3(C=C(C#N)C(=O)C(C)(C)C3)C2)n1
InChIInChI=1S/C18H18FN3O2/c1-11-4-5-13(19)14(21-11)16(24)22-9-18(10-22)6-12(7-20)15(23)17(2,3)8-18/h4-6H,8-10H2,1-3H3
InChIKeyJVEGJNMBRLSPNC-UHFFFAOYSA-N
XLogP2.42
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile?
The IUPAC name of 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile (CID 162442435) is 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile.
What is the SMILES notation for 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile?
The canonical SMILES for 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile is Cc1ccc(F)c(C(=O)N2CC3(C=C(C#N)C(=O)C(C)(C)C3)C2)n1.
What is the InChIKey of 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile?
The InChIKey is JVEGJNMBRLSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-4-5-13(19)14(21-11)16(24)22-9-18(10-22)6-12(7-20)15(23)17(2,3)8-18/h4-6H,8-10H2,1-3H3.
What are the key properties of 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile?
2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile has a molecular weight of 327.36 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-6-methylpyridine-2-carbonyl)-8,8-dimethyl-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile is sourced from PubChem (CID 162442435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).