N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C22H20F3N5O2 — CID 133329180

IUPACN-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)18-13-19(29-20(28-18)14-5-9-26-10-6-14)30-11-7-15(8-12-30)21(32)27-16-3-1-2-4-17(16)31/h1-6,9-10,13,15,31H,7-8,11-12H2,(H,27,32)
InChIKeyBJHZPMPXAJIFKC-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.12
Rot. Bonds4

About N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 133329180) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID133329180
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)18-13-19(29-20(28-18)14-5-9-26-10-6-14)30-11-7-15(8-12-30)21(32)27-16-3-1-2-4-17(16)31/h1-6,9-10,13,15,31H,7-8,11-12H2,(H,27,32)
InChIKeyBJHZPMPXAJIFKC-UHFFFAOYSA-N
XLogP4.12
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166333683
4-(4-phenylpiperidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133329913
1-(2-cyanophenyl)-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166333685
2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 133318191
2,2-dimethyl-1-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 133310194
N-(5-methyl-2-pyridinyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 133318998
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
1-ethyl-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166325400
4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444137
1-(3-methylsulfonylphenyl)-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166333687
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 48931738
(3-chlorophenyl)-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 133329963

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 133329180) is N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(Nc1ccccc1O)C1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is BJHZPMPXAJIFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)18-13-19(29-20(28-18)14-5-9-26-10-6-14)30-11-7-15(8-12-30)21(32)27-16-3-1-2-4-17(16)31/h1-6,9-10,13,15,31H,7-8,11-12H2,(H,27,32).
What are the key properties of N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133329180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).