3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one

C16H15FN6O — CID 71245061

IUPAC3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one
SMILESCC(Nc1cncc(Nc2ccc[nH]c2=O)n1)c1ccc(F)cn1
InChIInChI=1S/C16H15FN6O/c1-10(12-5-4-11(17)7-20-12)21-14-8-18-9-15(23-14)22-13-3-2-6-19-16(13)24/h2-10H,1H3,(H,19,24)(H2,21,22,23)
InChIKeyPBNAOZZCLQUYFY-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.62
Rot. Bonds5

About 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one

3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one (PubChem CID 71245061) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one
PubChem CID71245061
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one
SMILESCC(Nc1cncc(Nc2ccc[nH]c2=O)n1)c1ccc(F)cn1
InChIInChI=1S/C16H15FN6O/c1-10(12-5-4-11(17)7-20-12)21-14-8-18-9-15(23-14)22-13-3-2-6-19-16(13)24/h2-10H,1H3,(H,19,24)(H2,21,22,23)
InChIKeyPBNAOZZCLQUYFY-UHFFFAOYSA-N
XLogP2.62
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one (CID 71245061) is 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one is CC(Nc1cncc(Nc2ccc[nH]c2=O)n1)c1ccc(F)cn1.
What is the InChIKey of 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one?
The InChIKey is PBNAOZZCLQUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-10(12-5-4-11(17)7-20-12)21-14-8-18-9-15(23-14)22-13-3-2-6-19-16(13)24/h2-10H,1H3,(H,19,24)(H2,21,22,23).
What are the key properties of 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one?
3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one has a molecular weight of 326.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazin-2-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 71245061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).