3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide

C23H28F3N3O3 — CID 25290675

IUPAC3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C23H28F3N3O3/c1-14(2)11-28(5)22(32)19-13-29(15(3)4)12-18(20(19)30)21(31)27-10-16-6-8-17(9-7-16)23(24,25)26/h6-9,12-15H,10-11H2,1-5H3,(H,27,31)
InChIKeyKVMOPSUGTNBXBA-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.11
Rot. Bonds7

About 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide

3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide (PubChem CID 25290675) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
PubChem CID25290675
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C23H28F3N3O3/c1-14(2)11-28(5)22(32)19-13-29(15(3)4)12-18(20(19)30)21(31)27-10-16-6-8-17(9-7-16)23(24,25)26/h6-9,12-15H,10-11H2,1-5H3,(H,27,31)
InChIKeyKVMOPSUGTNBXBA-UHFFFAOYSA-N
XLogP4.11
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide (CID 25290675) is 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide is CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide?
The InChIKey is KVMOPSUGTNBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-14(2)11-28(5)22(32)19-13-29(15(3)4)12-18(20(19)30)21(31)27-10-16-6-8-17(9-7-16)23(24,25)26/h6-9,12-15H,10-11H2,1-5H3,(H,27,31).
What are the key properties of 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide?
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide has a molecular weight of 451.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25290675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).