N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide

C21H25F3N4O2 — CID 42783168

IUPACN-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
SMILESCC(C)CCN(CCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)c1cnccn1
InChIInChI=1S/C21H25F3N4O2/c1-15(2)6-10-28(20(30)18-14-25-8-9-26-18)11-7-19(29)27-13-16-4-3-5-17(12-16)21(22,23)24/h3-5,8-9,12,14-15H,6-7,10-11,13H2,1-2H3,(H,27,29)
InChIKeyIQXCNOUNEGULQA-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.69
Rot. Bonds9

About N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide

N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide (PubChem CID 42783168) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
PubChem CID42783168
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC NameN-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
SMILESCC(C)CCN(CCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)c1cnccn1
InChIInChI=1S/C21H25F3N4O2/c1-15(2)6-10-28(20(30)18-14-25-8-9-26-18)11-7-19(29)27-13-16-4-3-5-17(12-16)21(22,23)24/h3-5,8-9,12,14-15H,6-7,10-11,13H2,1-2H3,(H,27,29)
InChIKeyIQXCNOUNEGULQA-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-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-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 4067172
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
CID 4170520
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 3558029

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide (CID 42783168) is N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide is CC(C)CCN(CCC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)c1cnccn1.
What is the InChIKey of N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
The InChIKey is IQXCNOUNEGULQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-15(2)6-10-28(20(30)18-14-25-8-9-26-18)11-7-19(29)27-13-16-4-3-5-17(12-16)21(22,23)24/h3-5,8-9,12,14-15H,6-7,10-11,13H2,1-2H3,(H,27,29).
What are the key properties of N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide?
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).