3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide

C16H13F3N6O2 — CID 121351359

IUPAC3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ncccc2C(F)(F)F)c(N)nc1-c1ncco1
InChIInChI=1S/C16H13F3N6O2/c1-8-11(15-22-5-6-27-15)25-13(20)12(24-8)14(26)23-7-10-9(16(17,18)19)3-2-4-21-10/h2-6H,7H2,1H3,(H2,20,25)(H,23,26)
InChIKeyAAKGUOGJEIAQDA-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.37
Rot. Bonds4

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide (PubChem CID 121351359) has the molecular formula C16H13F3N6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
PubChem CID121351359
Molecular FormulaC16H13F3N6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ncccc2C(F)(F)F)c(N)nc1-c1ncco1
InChIInChI=1S/C16H13F3N6O2/c1-8-11(15-22-5-6-27-15)25-13(20)12(24-8)14(26)23-7-10-9(16(17,18)19)3-2-4-21-10/h2-6H,7H2,1H3,(H2,20,25)(H,23,26)
InChIKeyAAKGUOGJEIAQDA-UHFFFAOYSA-N
XLogP2.37
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide (CID 121351359) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2ncccc2C(F)(F)F)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide?
The InChIKey is AAKGUOGJEIAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2/c1-8-11(15-22-5-6-27-15)25-13(20)12(24-8)14(26)23-7-10-9(16(17,18)19)3-2-4-21-10/h2-6H,7H2,1H3,(H2,20,25)(H,23,26).
What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide?
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 121351359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).