2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid

C17H15F3N2O4 — CID 154305561

IUPAC2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(C)C(=O)O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-9(16(24)25)21-15(23)12-7-8-13(26-2)14(22-12)10-3-5-11(6-4-10)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,24,25)
InChIKeyUFTVYGFTCMYCED-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.98
Rot. Bonds5

About 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid

2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 154305561) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID154305561
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(C)C(=O)O)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-9(16(24)25)21-15(23)12-7-8-13(26-2)14(22-12)10-3-5-11(6-4-10)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,24,25)
InChIKeyUFTVYGFTCMYCED-UHFFFAOYSA-N
XLogP2.98
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]formamide
CID 144580203
3-[[6-(4-tert-butylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 122472272
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 170701335
N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 170701223
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
(2S)-2-[[2-prop-2-enoxy-5-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119237973
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
methyl 6-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 67072130
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid (CID 154305561) is 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid is COc1ccc(C(=O)NC(C)C(=O)O)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is UFTVYGFTCMYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-9(16(24)25)21-15(23)12-7-8-13(26-2)14(22-12)10-3-5-11(6-4-10)17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid?
2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 368.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 154305561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).