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

C21H16F2N6O3 — CID 155209184

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31)
InChIKeyUPJFBUSSMBUXBJ-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.29
Rot. Bonds5

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

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209184) has the molecular formula C21H16F2N6O3 and a molecular weight of 438.39 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209184
Molecular FormulaC21H16F2N6O3
Molecular Weight438.39 g/mol
Exact Mass438.13
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31)
InChIKeyUPJFBUSSMBUXBJ-UHFFFAOYSA-N
XLogP2.29
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209184) is 3-amino-N-[(2,6-difluorophenyl)methyl]-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-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is UPJFBUSSMBUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).