N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C20H24F3N5O2 — CID 92634667

IUPACN-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1
InChIInChI=1S/C20H24F3N5O2/c1-3-28-12-9-16(26-28)19(30)27-10-4-5-14(8-11-27)25-18(29)15-6-7-17(20(21,22)23)24-13(15)2/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyLQKIYOSQWOHFFJ-CQSZACIVSA-N
MW423.44 g/mol
LogP3.05
Rot. Bonds4

About N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 92634667) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID92634667
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC NameN-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1
InChIInChI=1S/C20H24F3N5O2/c1-3-28-12-9-16(26-28)19(30)27-10-4-5-14(8-11-27)25-18(29)15-6-7-17(20(21,22)23)24-13(15)2/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyLQKIYOSQWOHFFJ-CQSZACIVSA-N
XLogP3.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-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

2-methyl-N-[1-(5-methyl-1H-pyrazole-4-carbonyl)azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 110248413
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634374
2-methyl-N-[(4S)-1-[2-(1,2,4-triazol-1-yl)acetyl]azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 92634373
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162582023
N-(4-hydroxycyclohexyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134004658
N-[(4S)-azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124938802
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134004996
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 92634667) is N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1.
What is the InChIKey of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LQKIYOSQWOHFFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-3-28-12-9-16(26-28)19(30)27-10-4-5-14(8-11-27)25-18(29)15-6-7-17(20(21,22)23)24-13(15)2/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3,(H,25,29)/t14-/m1/s1.
What are the key properties of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92634667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).