N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

C21H22F3N5O — CID 46286603

IUPACN-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(n3c(C(F)(F)F)nc4cccnc43)CC2)c1
InChIInChI=1S/C21H22F3N5O/c1-13-5-6-14(2)17(12-13)27-20(30)28-10-7-15(8-11-28)29-18-16(4-3-9-25-18)26-19(29)21(22,23)24/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,27,30)
InChIKeyCWYKOAKEHIEMTI-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.94
Rot. Bonds2

About N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 46286603) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID46286603
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC NameN-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(n3c(C(F)(F)F)nc4cccnc43)CC2)c1
InChIInChI=1S/C21H22F3N5O/c1-13-5-6-14(2)17(12-13)27-20(30)28-10-7-15(8-11-28)29-18-16(4-3-9-25-18)26-19(29)21(22,23)24/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,27,30)
InChIKeyCWYKOAKEHIEMTI-UHFFFAOYSA-N
XLogP4.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286596
N-(3,5-dimethoxyphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286626
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286636
N-(2,4-dimethylphenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286729
N-(2,4-difluorophenyl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286581
N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891
N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46286666
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171
N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286744
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide (CID 46286603) is N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC(n3c(C(F)(F)F)nc4cccnc43)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is CWYKOAKEHIEMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-13-5-6-14(2)17(12-13)27-20(30)28-10-7-15(8-11-28)29-18-16(4-3-9-25-18)26-19(29)21(22,23)24/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,27,30).
What are the key properties of N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 46286603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).