5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one

C22H24N8O2 — CID 54674974

IUPAC5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCCN)c4)cnc3N)o2)cc1
InChIInChI=1S/C22H24N8O2/c1-25-11-14-3-5-15(6-4-14)21-28-29-22(32-21)19-20(24)26-12-17(27-19)16-7-8-18(31)30(13-16)10-2-9-23/h3-8,12-13,25H,2,9-11,23H2,1H3,(H2,24,26)
InChIKeyHJNRCIHLCYINMR-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.67
Rot. Bonds8

About 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one

5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one (PubChem CID 54674974) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one
PubChem CID54674974
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCCN)c4)cnc3N)o2)cc1
InChIInChI=1S/C22H24N8O2/c1-25-11-14-3-5-15(6-4-14)21-28-29-22(32-21)19-20(24)26-12-17(27-19)16-7-8-18(31)30(13-16)10-2-9-23/h3-8,12-13,25H,2,9-11,23H2,1H3,(H2,24,26)
InChIKeyHJNRCIHLCYINMR-UHFFFAOYSA-N
XLogP1.67
TPSA150.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one (CID 54674974) is 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(CCCN)c4)cnc3N)o2)cc1.
What is the InChIKey of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one?
The InChIKey is HJNRCIHLCYINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-25-11-14-3-5-15(6-4-14)21-28-29-22(32-21)19-20(24)26-12-17(27-19)16-7-8-18(31)30(13-16)10-2-9-23/h3-8,12-13,25H,2,9-11,23H2,1H3,(H2,24,26).
What are the key properties of 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one?
5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one has a molecular weight of 432.49 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(3-aminopropyl)pyridin-2-one is sourced from PubChem (CID 54674974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).