8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C24H26FN5O — CID 169123358

IUPAC8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)C[C@H]1N(C)c1ccc(F)cc1
InChIInChI=1S/C24H26FN5O/c1-15-14-30(16(2)11-21(15)28(3)19-8-5-17(25)6-9-19)22-12-23(31)29(4)20-10-7-18(13-26)27-24(20)22/h5-10,12,15-16,21H,11,14H2,1-4H3/t15-,16+,21-/m1/s1
InChIKeyODMANJAEUKMELW-VWKPWSFCSA-N
MW419.50 g/mol
LogP3.68
Rot. Bonds3

About 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 169123358) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID169123358
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)C[C@H]1N(C)c1ccc(F)cc1
InChIInChI=1S/C24H26FN5O/c1-15-14-30(16(2)11-21(15)28(3)19-8-5-17(25)6-9-19)22-12-23(31)29(4)20-10-7-18(13-26)27-24(20)22/h5-10,12,15-16,21H,11,14H2,1-4H3/t15-,16+,21-/m1/s1
InChIKeyODMANJAEUKMELW-VWKPWSFCSA-N
XLogP3.68
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(2R,4S,5R)-5-ethyl-4-hydroxy-2-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527031
8-[(2S)-4-[(2,4-difluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079814
8-[(2S,5R)-4-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466242
8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-oxazol-3-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466615
8-[4-[bis(4-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466746
8-[(2S,5R)-4-[2-(4-fluorophenyl)-2-methoxyethyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466109
8-[(2S,5S)-4-[1-(4-fluorophenyl)ethyl]-5-(methoxymethyl)-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466841
8-[(2R)-4-[bis(4-fluorophenyl)methyl]-2-(methoxymethyl)-5-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079794
8-[(2R,5R)-4-[(4-cyanophenyl)-(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466141
8-[(2S,5R)-4-[(4-fluorophenyl)-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146467078
8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2-thiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466327
8-[(2S,5R)-4-[(4-fluorophenyl)-(1,2,4-oxadiazol-5-yl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466838

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 169123358) is 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is C[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)[C@@H](C)C[C@H]1N(C)c1ccc(F)cc1.
What is the InChIKey of 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is ODMANJAEUKMELW-VWKPWSFCSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-15-14-30(16(2)11-21(15)28(3)19-8-5-17(25)6-9-19)22-12-23(31)29(4)20-10-7-18(13-26)27-24(20)22/h5-10,12,15-16,21H,11,14H2,1-4H3/t15-,16+,21-/m1/s1.
What are the key properties of 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 419.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 169123358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).