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

C17H17FN6O2 — CID 121351365

IUPAC3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCCc1c(F)ccnc1CNC(=O)c1nc(C)c(-c2ncco2)nc1N
InChIInChI=1S/C17H17FN6O2/c1-3-10-11(18)4-5-20-12(10)8-22-16(25)14-15(19)24-13(9(2)23-14)17-21-6-7-26-17/h4-7H,3,8H2,1-2H3,(H2,19,24)(H,22,25)
InChIKeyOIQDXGUEQNZICX-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.05
Rot. Bonds5

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

3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351365) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351365
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCCc1c(F)ccnc1CNC(=O)c1nc(C)c(-c2ncco2)nc1N
InChIInChI=1S/C17H17FN6O2/c1-3-10-11(18)4-5-20-12(10)8-22-16(25)14-15(19)24-13(9(2)23-14)17-21-6-7-26-17/h4-7H,3,8H2,1-2H3,(H2,19,24)(H,22,25)
InChIKeyOIQDXGUEQNZICX-UHFFFAOYSA-N
XLogP2.05
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351365) is 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CCc1c(F)ccnc1CNC(=O)c1nc(C)c(-c2ncco2)nc1N.
What is the InChIKey of 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is OIQDXGUEQNZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-3-10-11(18)4-5-20-12(10)8-22-16(25)14-15(19)24-13(9(2)23-14)17-21-6-7-26-17/h4-7H,3,8H2,1-2H3,(H2,19,24)(H,22,25).
What are the key properties of 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).