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

C22H18F2N6O3 — CID 146380324

IUPAC3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N)c1c(F)cccc1F
InChIInChI=1S/C22H18F2N6O3/c1-11(16-13(23)4-3-5-14(16)24)27-21(32)19-20(25)29-18(22-26-8-9-33-22)17(28-19)12-6-7-15(31)30(2)10-12/h3-11H,1-2H3,(H2,25,29)(H,27,32)
InChIKeyBNUHGMMHKOYFQZ-UHFFFAOYSA-N
MW452.42 g/mol
LogP2.85
Rot. Bonds5

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

3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146380324) has the molecular formula C22H18F2N6O3 and a molecular weight of 452.42 g/mol. Its IUPAC name is 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146380324
Molecular FormulaC22H18F2N6O3
Molecular Weight452.42 g/mol
Exact Mass452.14
IUPAC Name3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N)c1c(F)cccc1F
InChIInChI=1S/C22H18F2N6O3/c1-11(16-13(23)4-3-5-14(16)24)27-21(32)19-20(25)29-18(22-26-8-9-33-22)17(28-19)12-6-7-15(31)30(2)10-12/h3-11H,1-2H3,(H2,25,29)(H,27,32)
InChIKeyBNUHGMMHKOYFQZ-UHFFFAOYSA-N
XLogP2.85
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)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-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146380324) is 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ncco2)nc1N)c1c(F)cccc1F.
What is the InChIKey of 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is BNUHGMMHKOYFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O3/c1-11(16-13(23)4-3-5-14(16)24)27-21(32)19-20(25)29-18(22-26-8-9-33-22)17(28-19)12-6-7-15(31)30(2)10-12/h3-11H,1-2H3,(H2,25,29)(H,27,32).
What are the key properties of 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 452.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,6-difluorophenyl)ethyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).