N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

C18H18F3N3O3 — CID 48524407

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC(C)C)nc1
InChIInChI=1S/C18H18F3N3O3/c1-10(2)27-16-7-4-12(9-22-16)17(26)24-15-8-13(18(19,20)21)5-6-14(15)23-11(3)25/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyKIZQTZNSDWJDLU-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.10
Rot. Bonds5

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 48524407) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID48524407
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC(C)C)nc1
InChIInChI=1S/C18H18F3N3O3/c1-10(2)27-16-7-4-12(9-22-16)17(26)24-15-8-13(18(19,20)21)5-6-14(15)23-11(3)25/h4-10H,1-3H3,(H,23,25)(H,24,26)
InChIKeyKIZQTZNSDWJDLU-UHFFFAOYSA-N
XLogP4.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 166229195
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119707017
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
6-[[2-propan-2-yloxy-6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 143828092
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 48524407) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC(C)C)nc1.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is KIZQTZNSDWJDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-10(2)27-16-7-4-12(9-22-16)17(26)24-15-8-13(18(19,20)21)5-6-14(15)23-11(3)25/h4-10H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 48524407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).