5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile

C16H18N4O — CID 156556127

IUPAC5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCC1CCCN(c2cc(=O)n(C)c3ccc(C#N)nc23)C1
InChIInChI=1S/C16H18N4O/c1-11-4-3-7-20(10-11)14-8-15(21)19(2)13-6-5-12(9-17)18-16(13)14/h5-6,8,11H,3-4,7,10H2,1-2H3
InChIKeyRXXXQEVZFROWIF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.04
Rot. Bonds1

About 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile

5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 156556127) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID156556127
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCC1CCCN(c2cc(=O)n(C)c3ccc(C#N)nc23)C1
InChIInChI=1S/C16H18N4O/c1-11-4-3-7-20(10-11)14-8-15(21)19(2)13-6-5-12(9-17)18-16(13)14/h5-6,8,11H,3-4,7,10H2,1-2H3
InChIKeyRXXXQEVZFROWIF-UHFFFAOYSA-N
XLogP2.04
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 156556127) is 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile is CC1CCCN(c2cc(=O)n(C)c3ccc(C#N)nc23)C1.
What is the InChIKey of 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is RXXXQEVZFROWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-4-3-7-20(10-11)14-8-15(21)19(2)13-6-5-12(9-17)18-16(13)14/h5-6,8,11H,3-4,7,10H2,1-2H3.
What are the key properties of 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile?
5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 156556127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).