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

C22H19F3N4O2 — CID 171904275

IUPAC5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)CC[C@@H]1Oc1c(F)cc(F)cc1F
InChIInChI=1S/C22H19F3N4O2/c1-12-11-29(6-5-19(12)31-22-15(24)7-13(23)8-16(22)25)18-9-20(30)28(2)17-4-3-14(10-26)27-21(17)18/h3-4,7-9,12,19H,5-6,11H2,1-2H3/t12-,19-/m0/s1
InChIKeyMKGNVNCFCBGOFI-BUXKBTBVSA-N
MW428.41 g/mol
LogP3.52
Rot. Bonds3

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

5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 171904275) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID171904275
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)CC[C@@H]1Oc1c(F)cc(F)cc1F
InChIInChI=1S/C22H19F3N4O2/c1-12-11-29(6-5-19(12)31-22-15(24)7-13(23)8-16(22)25)18-9-20(30)28(2)17-4-3-14(10-26)27-21(17)18/h3-4,7-9,12,19H,5-6,11H2,1-2H3/t12-,19-/m0/s1
InChIKeyMKGNVNCFCBGOFI-BUXKBTBVSA-N
XLogP3.52
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)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-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904266
5-methyl-8-[(4S)-3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904334
5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156556127
CID 156802014
CID 156802014
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,4S)-3-ethyl-4-(3-propan-2-ylphenoxy)piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904277
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-[(3S,4R)-3-ethoxy-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527494
8-[4-[bis(4-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466746
8-[(3aS,4S,6aS)-5-[(4-fluorophenyl)methyl]-4-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169123060
methyl (2S)-1-[bis(4-fluorophenyl)methyl]-4-(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxylate
CID 146529400
8-[(2S)-4-[(2,4-difluorophenyl)methyl]-2-ethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146529606

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 171904275) is 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile is C[C@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)CC[C@@H]1Oc1c(F)cc(F)cc1F.
What is the InChIKey of 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is MKGNVNCFCBGOFI-BUXKBTBVSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-12-11-29(6-5-19(12)31-22-15(24)7-13(23)8-16(22)25)18-9-20(30)28(2)17-4-3-14(10-26)27-21(17)18/h3-4,7-9,12,19H,5-6,11H2,1-2H3/t12-,19-/m0/s1.
What are the key properties of 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile?
5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 428.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 171904275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).