6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C23H23F3N4O2 — CID 56852128

IUPAC6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C23H23F3N4O2/c1-30(12-10-18-7-2-3-11-27-18)15-19-8-9-20(22(32)29-19)21(31)28-14-16-5-4-6-17(13-16)23(24,25)26/h2-9,11,13H,10,12,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyHPZUTJYYDCQPLE-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.39
Rot. Bonds8

About 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 56852128) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID56852128
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1
InChIInChI=1S/C23H23F3N4O2/c1-30(12-10-18-7-2-3-11-27-18)15-19-8-9-20(22(32)29-19)21(31)28-14-16-5-4-6-17(13-16)23(24,25)26/h2-9,11,13H,10,12,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyHPZUTJYYDCQPLE-UHFFFAOYSA-N
XLogP3.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 56852128) is 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is CN(CCc1ccccn1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1.
What is the InChIKey of 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is HPZUTJYYDCQPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-30(12-10-18-7-2-3-11-27-18)15-19-8-9-20(22(32)29-19)21(31)28-14-16-5-4-6-17(13-16)23(24,25)26/h2-9,11,13H,10,12,14-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56852128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).