3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid

C18H17F3N2O4 — CID 119196672

IUPAC3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C18H17F3N2O4/c1-9(2)27-14-6-4-11(17(25)26)8-13(14)23-16(24)12-5-7-15(18(19,20)21)22-10(12)3/h4-9H,1-3H3,(H,23,24)(H,25,26)
InChIKeyURUASPXQBRZESU-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.15
Rot. Bonds5

About 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid

3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196672) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196672
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C18H17F3N2O4/c1-9(2)27-14-6-4-11(17(25)26)8-13(14)23-16(24)12-5-7-15(18(19,20)21)22-10(12)3/h4-9H,1-3H3,(H,23,24)(H,25,26)
InChIKeyURUASPXQBRZESU-UHFFFAOYSA-N
XLogP4.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196298
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 120517845
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 120517900
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
2-methyl-6-(trifluoromethyl)-N'-[4-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
CID 2795935

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid (CID 119196672) is 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)O)ccc1OC(C)C.
What is the InChIKey of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is URUASPXQBRZESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-9(2)27-14-6-4-11(17(25)26)8-13(14)23-16(24)12-5-7-15(18(19,20)21)22-10(12)3/h4-9H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid?
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 382.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).