N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C70H75ClF4N12O3 — CID 129078651

IUPACN-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H25F3N4O.C23H25ClN4O.C23H25FN4O/c1-14(2)21-18(12-28-13-29-21)20-11-16(22(32)31-23(3,4)5)10-19(30-20)15-6-8-17(9-7-15)24(25,26)27;2*1-14(2)21-18(12-25-13-26-21)20-11-16(22(29)28-23(3,4)5)10-19(27-20)15-6-8-17(24)9-7-15/h6-14H,1-5H3,(H,31,32);2*6-14H,1-5H3,(H,28,29)
InChIKeyFZXZSBYSPLPBGL-UHFFFAOYSA-N
MW1243.90 g/mol
LogP16.38
Rot. Bonds12

About N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 129078651) has the molecular formula C70H75ClF4N12O3 and a molecular weight of 1243.90 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID129078651
Molecular FormulaC70H75ClF4N12O3
Molecular Weight1243.90 g/mol
Exact Mass1242.57
IUPAC NameN-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H25F3N4O.C23H25ClN4O.C23H25FN4O/c1-14(2)21-18(12-28-13-29-21)20-11-16(22(32)31-23(3,4)5)10-19(30-20)15-6-8-17(9-7-15)24(25,26)27;2*1-14(2)21-18(12-25-13-26-21)20-11-16(22(29)28-23(3,4)5)10-19(27-20)15-6-8-17(24)9-7-15/h6-14H,1-5H3,(H,31,32);2*6-14H,1-5H3,(H,28,29)
InChIKeyFZXZSBYSPLPBGL-UHFFFAOYSA-N
XLogP16.38
TPSA203.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.90
LogP ≤ 516.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 129078651) is N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is FZXZSBYSPLPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O.C23H25ClN4O.C23H25FN4O/c1-14(2)21-18(12-28-13-29-21)20-11-16(22(32)31-23(3,4)5)10-19(30-20)15-6-8-17(9-7-15)24(25,26)27;2*1-14(2)21-18(12-25-13-26-21)20-11-16(22(29)28-23(3,4)5)10-19(27-20)15-6-8-17(24)9-7-15/h6-14H,1-5H3,(H,31,32);2*6-14H,1-5H3,(H,28,29).
What are the key properties of N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 1243.90 g/mol, XLogP of 16.38, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 129078651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).