N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C16H13F3N2O2 — CID 71898029

IUPACN-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C16H13F3N2O2/c1-9-13(7-8-14(20-9)16(17,18)19)15(23)21-12-5-3-11(4-6-12)10(2)22/h3-8H,1-2H3,(H,21,23)
InChIKeyGUMHVFXNNLHOBL-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.86
Rot. Bonds3

About N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 71898029) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID71898029
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C16H13F3N2O2/c1-9-13(7-8-14(20-9)16(17,18)19)15(23)21-12-5-3-11(4-6-12)10(2)22/h3-8H,1-2H3,(H,21,23)
InChIKeyGUMHVFXNNLHOBL-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
CID 2795935
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802
N-(3-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31853978
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595384
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
2-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71891348

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 71898029) is N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GUMHVFXNNLHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-9-13(7-8-14(20-9)16(17,18)19)15(23)21-12-5-3-11(4-6-12)10(2)22/h3-8H,1-2H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71898029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).