N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C13H18F3N3O2 — CID 75476911

IUPACN-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1cnc(C(=O)N(CC(F)(F)F)C(C)C)cn1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)19(7-13(14,15)16)12(20)10-5-18-11(6-17-10)21-9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyUFILXBQJEANJJM-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.68
Rot. Bonds5

About N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 75476911) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID75476911
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1cnc(C(=O)N(CC(F)(F)F)C(C)C)cn1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)19(7-13(14,15)16)12(20)10-5-18-11(6-17-10)21-9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyUFILXBQJEANJJM-UHFFFAOYSA-N
XLogP2.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-methoxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 132383061
5-(cyclopropylmethoxy)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazine-2-carboxamide
CID 137996648
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-5-propan-2-yloxypyrazine-2-carboxamide
CID 138036675
5-(Difluoromethoxy)pyrazine-2-carboxamide
CID 57475669
Formic acid;6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 67468129
6-(2,2,2-Trifluoroethoxy)pyrazine-2-carboxamide
CID 67468130
5-(2-Fluoroethoxy)pyrazine-2-carboxamide
CID 87411044
N-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 89532914
N-methoxy-N,6-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 89874104
5-(2,2-Difluoroethoxy)-3-methylpyrazine-2-carboxamide
CID 90318436
3-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 90375941
5-(2,2,2-Trifluoroethoxy)pyrazine-2-carboxamide
CID 117873304

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 75476911) is N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is CC(C)Oc1cnc(C(=O)N(CC(F)(F)F)C(C)C)cn1.
What is the InChIKey of N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The InChIKey is UFILXBQJEANJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(2)19(7-13(14,15)16)12(20)10-5-18-11(6-17-10)21-9(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 75476911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).