N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide

C28H33F3N2O4 — CID 90701326

IUPACN-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide
SMILESCCOCC(C=O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)C2CC2)c1
InChIInChI=1S/C28H33F3N2O4/c1-3-33(27(35)19-7-8-19)14-21-11-23(28(29,30)31)9-10-24(21)25-12-20(22(15-34)17-36-4-2)13-32-26(25)37-16-18-5-6-18/h9-13,15,18-19,22H,3-8,14,16-17H2,1-2H3
InChIKeyKUZQBAAXAGTFTL-UHFFFAOYSA-N
MW518.58 g/mol
LogP5.63
Rot. Bonds13

About N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide

N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide (PubChem CID 90701326) has the molecular formula C28H33F3N2O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide
PubChem CID90701326
Molecular FormulaC28H33F3N2O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC NameN-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide
SMILESCCOCC(C=O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)C2CC2)c1
InChIInChI=1S/C28H33F3N2O4/c1-3-33(27(35)19-7-8-19)14-21-11-23(28(29,30)31)9-10-24(21)25-12-20(22(15-34)17-36-4-2)13-32-26(25)37-16-18-5-6-18/h9-13,15,18-19,22H,3-8,14,16-17H2,1-2H3
InChIKeyKUZQBAAXAGTFTL-UHFFFAOYSA-N
XLogP5.63
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide (CID 90701326) is N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide is CCOCC(C=O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)C2CC2)c1.
What is the InChIKey of N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is KUZQBAAXAGTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N2O4/c1-3-33(27(35)19-7-8-19)14-21-11-23(28(29,30)31)9-10-24(21)25-12-20(22(15-34)17-36-4-2)13-32-26(25)37-16-18-5-6-18/h9-13,15,18-19,22H,3-8,14,16-17H2,1-2H3.
What are the key properties of N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 518.58 g/mol, XLogP of 5.63, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(cyclopropylmethoxy)-5-(1-ethoxy-3-oxopropan-2-yl)-3-pyridinyl]-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 90701326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).