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

C24H23F3N4O4 — CID 134609623

IUPACN-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2(O)COC2)c1
InChIInChI=1S/C24H23F3N4O4/c1-14-2-3-17(30-22(33)15-4-5-28-20(8-15)24(25,26)27)11-18(14)16-9-19(23(34)12-35-13-23)31-21(10-16)29-6-7-32/h2-5,8-11,32,34H,6-7,12-13H2,1H3,(H,29,31)(H,30,33)
InChIKeyICXJXKUEHBEYBG-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.35
Rot. Bonds7

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

N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 134609623) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID134609623
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2(O)COC2)c1
InChIInChI=1S/C24H23F3N4O4/c1-14-2-3-17(30-22(33)15-4-5-28-20(8-15)24(25,26)27)11-18(14)16-9-19(23(34)12-35-13-23)31-21(10-16)29-6-7-32/h2-5,8-11,32,34H,6-7,12-13H2,1H3,(H,29,31)(H,30,33)
InChIKeyICXJXKUEHBEYBG-UHFFFAOYSA-N
XLogP3.35
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 134609623) is N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2(O)COC2)c1.
What is the InChIKey of N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ICXJXKUEHBEYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-14-2-3-17(30-22(33)15-4-5-28-20(8-15)24(25,26)27)11-18(14)16-9-19(23(34)12-35-13-23)31-21(10-16)29-6-7-32/h2-5,8-11,32,34H,6-7,12-13H2,1H3,(H,29,31)(H,30,33).
What are the key properties of N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethylamino)-6-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 134609623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).