6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C25H32F3N5O — CID 67025271

IUPAC6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C25H32F3N5O/c1-24(2,3)21-16-20(22(34)29-18-8-6-7-17(15-18)25(26,27)28)30-23(31-21)33-13-9-19(10-14-33)32-11-4-5-12-32/h6-8,15-16,19H,4-5,9-14H2,1-3H3,(H,29,34)
InChIKeyVYQGESFFLKMCJC-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.11
Rot. Bonds4

About 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 67025271) has the molecular formula C25H32F3N5O and a molecular weight of 475.56 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID67025271
Molecular FormulaC25H32F3N5O
Molecular Weight475.56 g/mol
Exact Mass475.26
IUPAC Name6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C25H32F3N5O/c1-24(2,3)21-16-20(22(34)29-18-8-6-7-17(15-18)25(26,27)28)30-23(31-21)33-13-9-19(10-14-33)32-11-4-5-12-32/h6-8,15-16,19H,4-5,9-14H2,1-3H3,(H,29,34)
InChIKeyVYQGESFFLKMCJC-UHFFFAOYSA-N
XLogP5.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44547575
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
N-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
CID 44548539
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
2-(cyclopropylamino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109319783
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
6-methyl-2-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109323058
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
N-[3-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 138714306
6-(tert-butylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109373720
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 67025271) is 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is VYQGESFFLKMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O/c1-24(2,3)21-16-20(22(34)29-18-8-6-7-17(15-18)25(26,27)28)30-23(31-21)33-13-9-19(10-14-33)32-11-4-5-12-32/h6-8,15-16,19H,4-5,9-14H2,1-3H3,(H,29,34).
What are the key properties of 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 67025271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).