2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H18F3N3O2 — CID 79876215

IUPAC2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCN(C)C(C)(C)CNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H18F3N3O2/c1-12(2,19(3)4)7-17-10-8(11(20)21)5-6-9(18-10)13(14,15)16/h5-6H,7H2,1-4H3,(H,17,18)(H,20,21)
InChIKeySUGSKOLBELSJSD-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.55
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876215) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876215
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCN(C)C(C)(C)CNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H18F3N3O2/c1-12(2,19(3)4)7-17-10-8(11(20)21)5-6-9(18-10)13(14,15)16/h5-6H,7H2,1-4H3,(H,17,18)(H,20,21)
InChIKeySUGSKOLBELSJSD-UHFFFAOYSA-N
XLogP2.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-(trifluoromethyl)benzoic acid
CID 62711723
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-(3-methylsulfanylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877167
2-[2-(2-methylprop-2-enoxy)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 114469640
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106409489
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
2-[(4-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877633
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-[4-(dimethylamino)butan-2-ylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876210
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876190

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876215) is 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is CN(C)C(C)(C)CNc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is SUGSKOLBELSJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-12(2,19(3)4)7-17-10-8(11(20)21)5-6-9(18-10)13(14,15)16/h5-6H,7H2,1-4H3,(H,17,18)(H,20,21).
What are the key properties of 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 305.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).