N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide

C26H31N7O3 — CID 22179403

IUPACN-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1cnc(NCC(C)(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CN=C(N)NO1
InChIInChI=1S/C26H31N7O3/c1-18-13-29-23(24(35)33(18)16-22(34)28-14-21-15-30-25(27)32-36-21)31-17-26(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,21H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H3,27,30,32)
InChIKeyIYNKNTBNABLYTR-UHFFFAOYSA-N
MW489.58 g/mol
LogP1.30
Rot. Bonds9

About N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide

N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 22179403) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID22179403
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC NameN-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1cnc(NCC(C)(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CN=C(N)NO1
InChIInChI=1S/C26H31N7O3/c1-18-13-29-23(24(35)33(18)16-22(34)28-14-21-15-30-25(27)32-36-21)31-17-26(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,21H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H3,27,30,32)
InChIKeyIYNKNTBNABLYTR-UHFFFAOYSA-N
XLogP1.30
TPSA135.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 22179403) is N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide is Cc1cnc(NCC(C)(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CN=C(N)NO1.
What is the InChIKey of N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is IYNKNTBNABLYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-18-13-29-23(24(35)33(18)16-22(34)28-14-21-15-30-25(27)32-36-21)31-17-26(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,21H,14-17H2,1-2H3,(H,28,34)(H,29,31)(H3,27,30,32).
What are the key properties of N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide?
N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 1.30, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-(2,2-diphenylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 22179403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).