5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine

C23H23F2N3O — CID 70267621

IUPAC5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine
SMILESCc1cc(Nc2ccc(Oc3ccc(F)c(F)c3)cn2)ccc1N1CCCCC1
InChIInChI=1S/C23H23F2N3O/c1-16-13-17(5-9-22(16)28-11-3-2-4-12-28)27-23-10-7-19(15-26-23)29-18-6-8-20(24)21(25)14-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,26,27)
InChIKeyZWFBLZCPDORAQW-UHFFFAOYSA-N
MW395.45 g/mol
LogP6.19
Rot. Bonds5

About 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine

5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine (PubChem CID 70267621) has the molecular formula C23H23F2N3O and a molecular weight of 395.45 g/mol. Its IUPAC name is 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine
PubChem CID70267621
Molecular FormulaC23H23F2N3O
Molecular Weight395.45 g/mol
Exact Mass395.18
IUPAC Name5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine
SMILESCc1cc(Nc2ccc(Oc3ccc(F)c(F)c3)cn2)ccc1N1CCCCC1
InChIInChI=1S/C23H23F2N3O/c1-16-13-17(5-9-22(16)28-11-3-2-4-12-28)27-23-10-7-19(15-26-23)29-18-6-8-20(24)21(25)14-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,26,27)
InChIKeyZWFBLZCPDORAQW-UHFFFAOYSA-N
XLogP6.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-5-(4-fluorophenoxy)pyridin-2-amine
CID 59588914
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6404338
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
1-[4-[(5-chloro-2-pyridinyl)amino]-2-methylphenyl]piperidin-4-one;1H-indol-5-ylmethanamine
CID 172790439
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
1-(3,4-difluorophenyl)-N-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-amine
CID 134589742
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634
2,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 78828374

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine (CID 70267621) is 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine is Cc1cc(Nc2ccc(Oc3ccc(F)c(F)c3)cn2)ccc1N1CCCCC1.
What is the InChIKey of 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine?
The InChIKey is ZWFBLZCPDORAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O/c1-16-13-17(5-9-22(16)28-11-3-2-4-12-28)27-23-10-7-19(15-26-23)29-18-6-8-20(24)21(25)14-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,26,27).
What are the key properties of 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine?
5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine has a molecular weight of 395.45 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenoxy)-N-(3-methyl-4-piperidin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 70267621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).