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

C20H17FN8O3 — CID 146386587

IUPAC3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3nc(N)ccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C20H17FN8O3/c1-29-9-10(2-5-14(29)30)15-16(20-24-6-7-32-20)28-18(23)17(27-15)19(31)25-8-12-11(21)3-4-13(22)26-12/h2-7,9H,8H2,1H3,(H2,22,26)(H2,23,28)(H,25,31)
InChIKeyCBXYJZBCLYHQEG-UHFFFAOYSA-N
MW436.41 g/mol
LogP1.13
Rot. Bonds5

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

3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386587) has the molecular formula C20H17FN8O3 and a molecular weight of 436.41 g/mol. Its IUPAC name is 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386587
Molecular FormulaC20H17FN8O3
Molecular Weight436.41 g/mol
Exact Mass436.14
IUPAC Name3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3nc(N)ccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C20H17FN8O3/c1-29-9-10(2-5-14(29)30)15-16(20-24-6-7-32-20)28-18(23)17(27-15)19(31)25-8-12-11(21)3-4-13(22)26-12/h2-7,9H,8H2,1H3,(H2,22,26)(H2,23,28)(H,25,31)
InChIKeyCBXYJZBCLYHQEG-UHFFFAOYSA-N
XLogP1.13
TPSA167.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386587) is 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)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-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3nc(N)ccc3F)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is CBXYJZBCLYHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8O3/c1-29-9-10(2-5-14(29)30)15-16(20-24-6-7-32-20)28-18(23)17(27-15)19(31)25-8-12-11(21)3-4-13(22)26-12/h2-7,9H,8H2,1H3,(H2,22,26)(H2,23,28)(H,25,31).
What are the key properties of 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-amino-3-fluoro-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).