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

C23H24N4O2 — CID 171904266

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904275
5-methyl-8-[(4S)-3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904334
CID 156802014
CID 156802014
5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156556127
8-[(3S,4S)-3-ethyl-4-(3-propan-2-ylphenoxy)piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904277
8-[(3S,4S)-3-ethyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904280
8-[(3S,4R)-3-ethoxy-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527494
8-[(4S)-3-ethyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904324
8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156529623
6-isocyano-1-methyl-4-[(3R,4S)-3-methyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-1,5-naphthyridin-2-one
CID 160573717
8-[(2S,5S)-4-[bis(4-methylphenyl)methyl]-5-(methoxymethyl)-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146529530
tert-butyl (2S)-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 175545907

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).