6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid

C17H16F3N3O5 — CID 174819261

IUPAC6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCN(CCO)c1ncc(C(=O)O)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O5/c1-23(6-7-24)14-13(8-10(9-21-14)16(26)27)15(25)22-11-2-4-12(5-3-11)28-17(18,19)20/h2-5,8-9,24H,6-7H2,1H3,(H,22,25)(H,26,27)
InChIKeySHDDPSQAWQJXKJ-UHFFFAOYSA-N
MW399.33 g/mol
LogP2.36
Rot. Bonds7

About 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid

6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 174819261) has the molecular formula C17H16F3N3O5 and a molecular weight of 399.33 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID174819261
Molecular FormulaC17H16F3N3O5
Molecular Weight399.33 g/mol
Exact Mass399.10
IUPAC Name6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCN(CCO)c1ncc(C(=O)O)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O5/c1-23(6-7-24)14-13(8-10(9-21-14)16(26)27)15(25)22-11-2-4-12(5-3-11)28-17(18,19)20/h2-5,8-9,24H,6-7H2,1H3,(H,22,25)(H,26,27)
InChIKeySHDDPSQAWQJXKJ-UHFFFAOYSA-N
XLogP2.36
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 174836469
6-(2-methoxyethoxy)-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 174744009
6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 134506867
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919391
5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919384
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(methyl)amino]-5-[(E)-1-[3-(methylideneamino)-5-oxo-1,2-dihydropyrrol-4-yl]prop-1-en-2-yl]pyridine-3-carboxamide
CID 166662270
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(2-methylsulfanylethyl)amino]pyridine-3-carboxamide
CID 145388853
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118919395
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
3-N-prop-2-ynyl-2-pyrrolidin-1-yl-5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-dicarboxamide
CID 123605560
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid (CID 174819261) is 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid is CN(CCO)c1ncc(C(=O)O)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is SHDDPSQAWQJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O5/c1-23(6-7-24)14-13(8-10(9-21-14)16(26)27)15(25)22-11-2-4-12(5-3-11)28-17(18,19)20/h2-5,8-9,24H,6-7H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid?
6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 399.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 174819261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).