N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C28H29F3N4O2 — CID 171683402

IUPACN-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C28H29F3N4O2/c1-27(2,3)24-9-6-20(16-33-24)26(37)35-14-11-19(12-15-35)18-4-7-21(8-5-18)34-25(36)22-17-32-13-10-23(22)28(29,30)31/h4-10,13,16-17,19H,11-12,14-15H2,1-3H3,(H,34,36)
InChIKeyGCQHRWMZEAHPBU-UHFFFAOYSA-N
MW510.56 g/mol
LogP6.07
Rot. Bonds4

About N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171683402) has the molecular formula C28H29F3N4O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID171683402
Molecular FormulaC28H29F3N4O2
Molecular Weight510.56 g/mol
Exact Mass510.22
IUPAC NameN-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C28H29F3N4O2/c1-27(2,3)24-9-6-20(16-33-24)26(37)35-14-11-19(12-15-35)18-4-7-21(8-5-18)34-25(36)22-17-32-13-10-23(22)28(29,30)31/h4-10,13,16-17,19H,11-12,14-15H2,1-3H3,(H,34,36)
InChIKeyGCQHRWMZEAHPBU-UHFFFAOYSA-N
XLogP6.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171681569
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230
N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 171681554
N-[4-[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]phenyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171685759
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
CID 59743869
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 171678139
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
N'-(2,6-dimethylphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]oxamide
CID 171683936
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 171683402) is N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cnccc4C(F)(F)F)cc3)CC2)cn1.
What is the InChIKey of N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GCQHRWMZEAHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2/c1-27(2,3)24-9-6-20(16-33-24)26(37)35-14-11-19(12-15-35)18-4-7-21(8-5-18)34-25(36)22-17-32-13-10-23(22)28(29,30)31/h4-10,13,16-17,19H,11-12,14-15H2,1-3H3,(H,34,36).
What are the key properties of N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171683402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).