6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C25H25F3N4O3 — CID 118195382

IUPAC6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)(O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C1
InChIInChI=1S/C25H25F3N4O3/c1-24(2,34)18-9-11-32(15-18)22-21(16-4-3-10-29-13-16)12-17(14-30-22)23(33)31-19-5-7-20(8-6-19)35-25(26,27)28/h3-8,10,12-14,18,34H,9,11,15H2,1-2H3,(H,31,33)
InChIKeyZJDDOIPSKBEGIG-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.89
Rot. Bonds6

About 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195382) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195382
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)(O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C1
InChIInChI=1S/C25H25F3N4O3/c1-24(2,34)18-9-11-32(15-18)22-21(16-4-3-10-29-13-16)12-17(14-30-22)23(33)31-19-5-7-20(8-6-19)35-25(26,27)28/h3-8,10,12-14,18,34H,9,11,15H2,1-2H3,(H,31,33)
InChIKeyZJDDOIPSKBEGIG-UHFFFAOYSA-N
XLogP4.89
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
AMG-487 metabolite M2
CID 11757854
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 54759168
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
CID 89907349
7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135489967
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
CID 89908140
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118195093
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644878
N-[4-(chlorodifluoromethoxy)phenyl]-5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644883

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195382) is 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CC(C)(O)C1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C1.
What is the InChIKey of 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZJDDOIPSKBEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-24(2,34)18-9-11-32(15-18)22-21(16-4-3-10-29-13-16)12-17(14-30-22)23(33)31-19-5-7-20(8-6-19)35-25(26,27)28/h3-8,10,12-14,18,34H,9,11,15H2,1-2H3,(H,31,33).
What are the key properties of 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).