N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide

C24H26F3N5O3 — CID 66927740

IUPACN-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nccc1-c1cc(N(C(=O)c2cccnc2)C(F)(F)F)ccc1OCCN1CCC(O)CC1
InChIInChI=1S/C24H26F3N5O3/c1-30-21(6-10-29-30)20-15-18(32(24(25,26)27)23(34)17-3-2-9-28-16-17)4-5-22(20)35-14-13-31-11-7-19(33)8-12-31/h2-6,9-10,15-16,19,33H,7-8,11-14H2,1H3
InChIKeyJVZLYFGWGINNFL-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.48
Rot. Bonds7

About N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66927740) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66927740
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC NameN-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nccc1-c1cc(N(C(=O)c2cccnc2)C(F)(F)F)ccc1OCCN1CCC(O)CC1
InChIInChI=1S/C24H26F3N5O3/c1-30-21(6-10-29-30)20-15-18(32(24(25,26)27)23(34)17-3-2-9-28-16-17)4-5-22(20)35-14-13-31-11-7-19(33)8-12-31/h2-6,9-10,15-16,19,33H,7-8,11-14H2,1H3
InChIKeyJVZLYFGWGINNFL-UHFFFAOYSA-N
XLogP3.48
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide (CID 66927740) is N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide is Cn1nccc1-c1cc(N(C(=O)c2cccnc2)C(F)(F)F)ccc1OCCN1CCC(O)CC1.
What is the InChIKey of N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JVZLYFGWGINNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-30-21(6-10-29-30)20-15-18(32(24(25,26)27)23(34)17-3-2-9-28-16-17)4-5-22(20)35-14-13-31-11-7-19(33)8-12-31/h2-6,9-10,15-16,19,33H,7-8,11-14H2,1H3.
What are the key properties of N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66927740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).