N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide

C22H23F3N6O2 — CID 140894985

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1
InChIInChI=1S/C22H23F3N6O2/c1-2-29-8-10-30(11-9-29)22(32)31(18-5-3-4-16(23)12-18)14-17-7-6-15(13-26-17)20-27-28-21(33-20)19(24)25/h3-7,12-13,19H,2,8-11,14H2,1H3
InChIKeyFTYFZXXLOFKUHH-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.97
Rot. Bonds6

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 140894985) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID140894985
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1
InChIInChI=1S/C22H23F3N6O2/c1-2-29-8-10-30(11-9-29)22(32)31(18-5-3-4-16(23)12-18)14-17-7-6-15(13-26-17)20-27-28-21(33-20)19(24)25/h3-7,12-13,19H,2,8-11,14H2,1H3
InChIKeyFTYFZXXLOFKUHH-UHFFFAOYSA-N
XLogP3.97
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 156891692
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-ethyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 161101716
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894577
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894719
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-2-fluoro-N-(3-fluorophenyl)-3-(1-hydroxypropan-2-ylamino)-2-methylpropanamide
CID 169040935
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-(oxan-4-yl)azetidine-3-carboxamide
CID 156891732
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-fluoro-N-(3-fluorophenyl)-1-[1-(oxetan-3-yl)azetidin-3-yl]azetidine-3-carboxamide
CID 156891752
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 140895045
N-(4-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 170591353
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 156840567
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-fluoro-N-(3-fluorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 175460662
N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 156840540

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 140894985) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(F)c2)CC1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is FTYFZXXLOFKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-2-29-8-10-30(11-9-29)22(32)31(18-5-3-4-16(23)12-18)14-17-7-6-15(13-26-17)20-27-28-21(33-20)19(24)25/h3-7,12-13,19H,2,8-11,14H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 140894985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).