3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C21H17F3N2O — CID 69133595

IUPAC3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H17F3N2O/c1-15-13-25-12-11-19(15)20(27)26(18-5-3-2-4-6-18)14-16-7-9-17(10-8-16)21(22,23)24/h2-13H,14H2,1H3
InChIKeyMYTCRODKECAMQX-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.26
Rot. Bonds4

About 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 69133595) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID69133595
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H17F3N2O/c1-15-13-25-12-11-19(15)20(27)26(18-5-3-2-4-6-18)14-16-7-9-17(10-8-16)21(22,23)24/h2-13H,14H2,1H3
InChIKeyMYTCRODKECAMQX-UHFFFAOYSA-N
XLogP5.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 158988561
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46052325
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 126544271
N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide
CID 126797224
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 75449878
2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
CID 46057076
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 134568607
1-[8-(trifluoromethyl)isoquinolin-5-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 91579004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 69133595) is 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is MYTCRODKECAMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-15-13-25-12-11-19(15)20(27)26(18-5-3-2-4-6-18)14-16-7-9-17(10-8-16)21(22,23)24/h2-13H,14H2,1H3.
What are the key properties of 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 69133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).