3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

C15H19F3N2O3 — CID 75417944

IUPAC3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C15H19F3N2O3/c1-9(2)8-20(7-6-13(21)22)14(23)11-4-5-12(15(16,17)18)19-10(11)3/h4-5,9H,6-8H2,1-3H3,(H,21,22)
InChIKeyITNMNTMOUQXLDJ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.98
Rot. Bonds6

About 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 75417944) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID75417944
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C15H19F3N2O3/c1-9(2)8-20(7-6-13(21)22)14(23)11-4-5-12(15(16,17)18)19-10(11)3/h4-5,9H,6-8H2,1-3H3,(H,21,22)
InChIKeyITNMNTMOUQXLDJ-UHFFFAOYSA-N
XLogP2.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
2-methyl-N-(2-methylpropyl)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 49792382
2-methyl-N-(2-methylpropyl)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]azepane-2-carboxamide
CID 49795685
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796125
2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2795952
[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]-thiomorpholin-4-ylmethanone
CID 2795957
N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796050
[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2810208
N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 46044797
2-[1-(4-Fluorobenzoyl)-4-piperidyl]-N-isopropyl-N,6-dimethylnicotinamide
CID 46069076
2-[1-(2,6-Difluorobenzoyl)piperidin-4-YL]-N,6-dimethyl-N-(propan-2-YL)pyridine-3-carboxamide
CID 46069077
(2,4-Difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46158311

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 75417944) is 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is Cc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is ITNMNTMOUQXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-9(2)8-20(7-6-13(21)22)14(23)11-4-5-12(15(16,17)18)19-10(11)3/h4-5,9H,6-8H2,1-3H3,(H,21,22).
What are the key properties of 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 332.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 75417944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).