N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C53H50F6N8O4Si — CID 164963558

IUPACN-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#C[Si](C)(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O2Si.C25H21F3N4O2/c1-19-5-6-22(34-27(36)20-7-9-32-26(16-20)28(29,30)31)17-23(19)21-15-25(35-10-12-37-13-11-35)24(33-18-21)8-14-38(2,3)4;1-3-21-22(32-8-10-34-11-9-32)12-18(15-30-21)20-14-19(5-4-16(20)2)31-24(33)17-6-7-29-23(13-17)25(26,27)28/h5-7,9,15-18H,10-13H2,1-4H3,(H,34,36);1,4-7,12-15H,8-11H2,2H3,(H,31,33)
InChIKeyCDVUXHWUIVUAOL-UHFFFAOYSA-N
MW1005.11 g/mol
LogP10.33
Rot. Bonds8

About N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 164963558) has the molecular formula C53H50F6N8O4Si and a molecular weight of 1005.11 g/mol. Its IUPAC name is N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID164963558
Molecular FormulaC53H50F6N8O4Si
Molecular Weight1005.11 g/mol
Exact Mass1004.36
IUPAC NameN-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#C[Si](C)(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O2Si.C25H21F3N4O2/c1-19-5-6-22(34-27(36)20-7-9-32-26(16-20)28(29,30)31)17-23(19)21-15-25(35-10-12-37-13-11-35)24(33-18-21)8-14-38(2,3)4;1-3-21-22(32-8-10-34-11-9-32)12-18(15-30-21)20-14-19(5-4-16(20)2)31-24(33)17-6-7-29-23(13-17)25(26,27)28/h5-7,9,15-18H,10-13H2,1-4H3,(H,34,36);1,4-7,12-15H,8-11H2,2H3,(H,31,33)
InChIKeyCDVUXHWUIVUAOL-UHFFFAOYSA-N
XLogP10.33
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.11
LogP ≤ 510.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 164963558) is N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C#Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C#C[Si](C)(C)C)c(N2CCOCC2)c1.
What is the InChIKey of N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is CDVUXHWUIVUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2Si.C25H21F3N4O2/c1-19-5-6-22(34-27(36)20-7-9-32-26(16-20)28(29,30)31)17-23(19)21-15-25(35-10-12-37-13-11-35)24(33-18-21)8-14-38(2,3)4;1-3-21-22(32-8-10-34-11-9-32)12-18(15-30-21)20-14-19(5-4-16(20)2)31-24(33)17-6-7-29-23(13-17)25(26,27)28/h5-7,9,15-18H,10-13H2,1-4H3,(H,34,36);1,4-7,12-15H,8-11H2,2H3,(H,31,33).
What are the key properties of N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1005.11 g/mol, XLogP of 10.33, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethynyl-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[5-morpholin-4-yl-6-(2-trimethylsilylethynyl)-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 164963558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).