N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide

C27H25F2N5O2 — CID 53135854

IUPACN-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccc(F)cc4F)CC3)n2)cc1
InChIInChI=1S/C27H25F2N5O2/c1-17-4-6-18(7-5-17)24-32-27(36-33-24)22-3-2-12-30-25(22)34-13-10-19(11-14-34)26(35)31-16-20-8-9-21(28)15-23(20)29/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,31,35)
InChIKeyLBGRFDVLNMKSEK-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.92
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53135854) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID53135854
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccc(F)cc4F)CC3)n2)cc1
InChIInChI=1S/C27H25F2N5O2/c1-17-4-6-18(7-5-17)24-32-27(36-33-24)22-3-2-12-30-25(22)34-13-10-19(11-14-34)26(35)31-16-20-8-9-21(28)15-23(20)29/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,31,35)
InChIKeyLBGRFDVLNMKSEK-UHFFFAOYSA-N
XLogP4.92
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53365309
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135823
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
N-[(4-methoxyphenyl)methyl]-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53012087
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 53135902
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 53365334
N-cyclohexyl-1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135930

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 53135854) is N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide is Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NCc4ccc(F)cc4F)CC3)n2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LBGRFDVLNMKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c1-17-4-6-18(7-5-17)24-32-27(36-33-24)22-3-2-12-30-25(22)34-13-10-19(11-14-34)26(35)31-16-20-8-9-21(28)15-23(20)29/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,31,35).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53135854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).