3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one

C14H16F2N4O — CID 70082419

IUPAC3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one
SMILESCCc1nc(NCC(F)(F)c2ccccn2)c(=O)[nH]c1C
InChIInChI=1S/C14H16F2N4O/c1-3-10-9(2)19-13(21)12(20-10)18-8-14(15,16)11-6-4-5-7-17-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRTTHGFBTHNOEGS-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.24
Rot. Bonds5

About 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one

3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one (PubChem CID 70082419) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one
PubChem CID70082419
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one
SMILESCCc1nc(NCC(F)(F)c2ccccn2)c(=O)[nH]c1C
InChIInChI=1S/C14H16F2N4O/c1-3-10-9(2)19-13(21)12(20-10)18-8-14(15,16)11-6-4-5-7-17-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRTTHGFBTHNOEGS-UHFFFAOYSA-N
XLogP2.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one?
The IUPAC name of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one (CID 70082419) is 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one is CCc1nc(NCC(F)(F)c2ccccn2)c(=O)[nH]c1C.
What is the InChIKey of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one?
The InChIKey is RTTHGFBTHNOEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-3-10-9(2)19-13(21)12(20-10)18-8-14(15,16)11-6-4-5-7-17-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one?
3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one has a molecular weight of 294.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 70082419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).