N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C24H22F3N3O4 — CID 134609397

IUPACN-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1
InChIInChI=1S/C24H22F3N3O4/c1-3-34-22-19(23(32)12-33-13-23)8-16(11-29-22)18-10-17(5-4-14(18)2)30-21(31)15-6-7-28-20(9-15)24(25,26)27/h4-11,32H,3,12-13H2,1-2H3,(H,30,31)
InChIKeyDKCXDMLQBAHOEY-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 134609397) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID134609397
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC NameN-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1
InChIInChI=1S/C24H22F3N3O4/c1-3-34-22-19(23(32)12-33-13-23)8-16(11-29-22)18-10-17(5-4-14(18)2)30-21(31)15-6-7-28-20(9-15)24(25,26)27/h4-11,32H,3,12-13H2,1-2H3,(H,30,31)
InChIKeyDKCXDMLQBAHOEY-UHFFFAOYSA-N
XLogP4.34
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[2-Methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-ylpyridin-2-yl]oxyethyl dihydrogen phosphate
CID 118938861
N-(4-methyl-3-spiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-oxane]-8-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166633359
N-[3-(4-hydroxyspiro[3,4-dihydrochromene-2,4'-oxane]-7-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168274642
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408627
2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461037
2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)phenyl]pyridine-4-carboxamide
CID 90461225
N-[3-[6-(difluoromethoxy)-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 90461245
2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461361
2-(1,1-difluoroethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 117609565
N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117609994
N-[4-(hydroxymethyl)-3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-oxane]-8-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166627592

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 134609397) is N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1.
What is the InChIKey of N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is DKCXDMLQBAHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-3-34-22-19(23(32)12-33-13-23)8-16(11-29-22)18-10-17(5-4-14(18)2)30-21(31)15-6-7-28-20(9-15)24(25,26)27/h4-11,32H,3,12-13H2,1-2H3,(H,30,31).
What are the key properties of N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 134609397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).