3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide

C20H20FN5O2 — CID 91173531

IUPAC3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)n1cc(Cc2nc(C(N)=O)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C20H20FN5O2/c1-11(2)26-10-12(3-8-16(26)27)9-15-17(13-4-6-14(21)7-5-13)25-19(22)18(24-15)20(23)28/h3-8,10-11H,9H2,1-2H3,(H2,22,25)(H2,23,28)
InChIKeyDTAPLIRHROPPIX-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide

3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 91173531) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID91173531
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)n1cc(Cc2nc(C(N)=O)c(N)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C20H20FN5O2/c1-11(2)26-10-12(3-8-16(26)27)9-15-17(13-4-6-14(21)7-5-13)25-19(22)18(24-15)20(23)28/h3-8,10-11H,9H2,1-2H3,(H2,22,25)(H2,23,28)
InChIKeyDTAPLIRHROPPIX-UHFFFAOYSA-N
XLogP2.30
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide (CID 91173531) is 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is CC(C)n1cc(Cc2nc(C(N)=O)c(N)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is DTAPLIRHROPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-11(2)26-10-12(3-8-16(26)27)9-15-17(13-4-6-14(21)7-5-13)25-19(22)18(24-15)20(23)28/h3-8,10-11H,9H2,1-2H3,(H2,22,25)(H2,23,28).
What are the key properties of 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide?
3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-6-[(6-oxo-1-propan-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91173531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).