4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C17H18N4O — CID 155019490

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCc1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2n1
InChIInChI=1S/C17H18N4O/c1-11-2-3-13-14(19-11)15(12(10-18)16(22)20-13)21-8-6-17(4-5-17)7-9-21/h2-3H,4-9H2,1H3,(H,20,22)
InChIKeyYGKBWZHASJQXJD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.48
Rot. Bonds1

About 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155019490) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155019490
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESCc1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2n1
InChIInChI=1S/C17H18N4O/c1-11-2-3-13-14(19-11)15(12(10-18)16(22)20-13)21-8-6-17(4-5-17)7-9-21/h2-3H,4-9H2,1H3,(H,20,22)
InChIKeyYGKBWZHASJQXJD-UHFFFAOYSA-N
XLogP2.48
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155019490) is 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is Cc1ccc2[nH]c(=O)c(C#N)c(N3CCC4(CC3)CC4)c2n1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is YGKBWZHASJQXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-2-3-13-14(19-11)15(12(10-18)16(22)20-13)21-8-6-17(4-5-17)7-9-21/h2-3H,4-9H2,1H3,(H,20,22).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155019490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).