4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

C22H19F3N4O4 — CID 118301682

IUPAC4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CC(=O)Nc3cc(C(F)(F)F)ncc3O)cc2C)ccn1
InChIInChI=1S/C22H19F3N4O4/c1-12-7-13(3-4-18(12)33-14-5-6-27-16(9-14)21(32)26-2)8-20(31)29-15-10-19(22(23,24)25)28-11-17(15)30/h3-7,9-11,30H,8H2,1-2H3,(H,26,32)(H,28,29,31)
InChIKeyNHZYUALDZFJOGG-UHFFFAOYSA-N
MW460.41 g/mol
LogP3.84
Rot. Bonds6

About 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 118301682) has the molecular formula C22H19F3N4O4 and a molecular weight of 460.41 g/mol. Its IUPAC name is 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
PubChem CID118301682
Molecular FormulaC22H19F3N4O4
Molecular Weight460.41 g/mol
Exact Mass460.14
IUPAC Name4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(CC(=O)Nc3cc(C(F)(F)F)ncc3O)cc2C)ccn1
InChIInChI=1S/C22H19F3N4O4/c1-12-7-13(3-4-18(12)33-14-5-6-27-16(9-14)21(32)26-2)8-20(31)29-15-10-19(22(23,24)25)28-11-17(15)30/h3-7,9-11,30H,8H2,1-2H3,(H,26,32)(H,28,29,31)
InChIKeyNHZYUALDZFJOGG-UHFFFAOYSA-N
XLogP3.84
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (CID 118301682) is 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(CC(=O)Nc3cc(C(F)(F)F)ncc3O)cc2C)ccn1.
What is the InChIKey of 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is NHZYUALDZFJOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O4/c1-12-7-13(3-4-18(12)33-14-5-6-27-16(9-14)21(32)26-2)8-20(31)29-15-10-19(22(23,24)25)28-11-17(15)30/h3-7,9-11,30H,8H2,1-2H3,(H,26,32)(H,28,29,31).
What are the key properties of 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 460.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]amino]-2-oxoethyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 118301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).