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

C14H11F3N2O — CID 110860907

IUPAC4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c1-9-6-7-18-8-12(9)13(20)19-11-4-2-10(3-5-11)14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyCCCGBJYZHXJLJI-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.66
Rot. Bonds2

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

4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 110860907) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID110860907
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c1-9-6-7-18-8-12(9)13(20)19-11-4-2-10(3-5-11)14(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyCCCGBJYZHXJLJI-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 131941237
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
1-methyl-5-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 23093821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 110860907) is 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CCCGBJYZHXJLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-9-6-7-18-8-12(9)13(20)19-11-4-2-10(3-5-11)14(15,16)17/h2-8H,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 110860907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).