3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C21H16F2N6O2 — CID 155209351

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccn1
InChIInChI=1S/C21H16F2N6O2/c1-11-9-12(5-6-25-11)16-17(21-26-7-8-31-21)29-19(24)18(28-16)20(30)27-10-13-14(22)3-2-4-15(13)23/h2-9H,10H2,1H3,(H2,24,29)(H,27,30)
InChIKeyZYSUTNFNFJEYRY-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209351) has the molecular formula C21H16F2N6O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209351
Molecular FormulaC21H16F2N6O2
Molecular Weight422.40 g/mol
Exact Mass422.13
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccn1
InChIInChI=1S/C21H16F2N6O2/c1-11-9-12(5-6-25-11)16-17(21-26-7-8-31-21)29-19(24)18(28-16)20(30)27-10-13-14(22)3-2-4-15(13)23/h2-9H,10H2,1H3,(H2,24,29)(H,27,30)
InChIKeyZYSUTNFNFJEYRY-UHFFFAOYSA-N
XLogP3.29
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209351) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccn1.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZYSUTNFNFJEYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2/c1-11-9-12(5-6-25-11)16-17(21-26-7-8-31-21)29-19(24)18(28-16)20(30)27-10-13-14(22)3-2-4-15(13)23/h2-9H,10H2,1H3,(H2,24,29)(H,27,30).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 422.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).