2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide

C20H19F3N6O2 — CID 166481504

IUPAC2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc(C2CCOCC2)n1
InChIInChI=1S/C20H19F3N6O2/c1-29-11-24-10-16(29)18-27-14(12-4-6-31-7-5-12)8-15(28-18)19(30)26-13-2-3-17(25-9-13)20(21,22)23/h2-3,8-12H,4-7H2,1H3,(H,26,30)
InChIKeyCFPQYCKEURHNIF-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide

2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 166481504) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID166481504
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCn1cncc1-c1nc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc(C2CCOCC2)n1
InChIInChI=1S/C20H19F3N6O2/c1-29-11-24-10-16(29)18-27-14(12-4-6-31-7-5-12)8-15(28-18)19(30)26-13-2-3-17(25-9-13)20(21,22)23/h2-3,8-12H,4-7H2,1H3,(H,26,30)
InChIKeyCFPQYCKEURHNIF-UHFFFAOYSA-N
XLogP3.44
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481158
6-(4,4-difluorocyclohexyl)-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481298
N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
CID 166481588
N-(4-methoxycyclohexyl)-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 166481300
3-methyl-6-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 166481330
3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 171571731
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655080
N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655525
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481701
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide (CID 166481504) is 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide is Cn1cncc1-c1nc(C(=O)Nc2ccc(C(F)(F)F)nc2)cc(C2CCOCC2)n1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is CFPQYCKEURHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-29-11-24-10-16(29)18-27-14(12-4-6-31-7-5-12)8-15(28-18)19(30)26-13-2-3-17(25-9-13)20(21,22)23/h2-3,8-12H,4-7H2,1H3,(H,26,30).
What are the key properties of 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 166481504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).