N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C13H19F3N4O — CID 107374760

IUPACN-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(CCC)CC(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4O/c1-3-5-17-11-8-18-10(7-19-11)12(21)20(6-4-2)9-13(14,15)16/h7-8H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyXKAVMYOESQZRAT-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.71
Rot. Bonds7

About N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 107374760) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID107374760
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(CCC)CC(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4O/c1-3-5-17-11-8-18-10(7-19-11)12(21)20(6-4-2)9-13(14,15)16/h7-8H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyXKAVMYOESQZRAT-UHFFFAOYSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)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-(cyclopropylmethyl)-N-propyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374839
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046
5-(3-methoxypropylamino)-N,N-dipropylpyrazine-2-carboxamide
CID 109276273
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285830
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 63723207
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
N-ethyl-5-hydrazinyl-N-propylpyrazine-2-carboxamide
CID 107378064
N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376210
N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
CID 107377361
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 107374760) is N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)N(CCC)CC(F)(F)F)cn1.
What is the InChIKey of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The InChIKey is XKAVMYOESQZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-5-17-11-8-18-10(7-19-11)12(21)20(6-4-2)9-13(14,15)16/h7-8H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107374760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).