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5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile

C23H24N4O2 — CID 171904266

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCc1ccc(OC2CCN(c3cc(=O)n(C)c4ccc(C#N)nc34)CC2C)cc1
InChIInChI=1S/C23H24N4O2/c1-15-4-7-18(8-5-15)29-21-10-11-27(14-16(21)2)20-12-22(28)26(3)19-9-6-17(13-24)25-23(19)20/h4-9,12,16,21H,10-11,14H2,1-3H3
InChIKeyQQFAQHXJVZTEIJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.41
Rot. Bonds3

About 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile

5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 171904266) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID171904266
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCc1ccc(OC2CCN(c3cc(=O)n(C)c4ccc(C#N)nc34)CC2C)cc1
InChIInChI=1S/C23H24N4O2/c1-15-4-7-18(8-5-15)29-21-10-11-27(14-16(21)2)20-12-22(28)26(3)19-9-6-17(13-24)25-23(19)20/h4-9,12,16,21H,10-11,14H2,1-3H3
InChIKeyQQFAQHXJVZTEIJ-UHFFFAOYSA-N
XLogP3.41
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 171904266) is 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile is Cc1ccc(OC2CCN(c3cc(=O)n(C)c4ccc(C#N)nc34)CC2C)cc1.
What is the InChIKey of 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is QQFAQHXJVZTEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-4-7-18(8-5-15)29-21-10-11-27(14-16(21)2)20-12-22(28)26(3)19-9-6-17(13-24)25-23(19)20/h4-9,12,16,21H,10-11,14H2,1-3H3.
What are the key properties of 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 171904266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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