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

C19H23F2N7O3 — CID 22179385

IUPACN-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccc(F)cc2F)c(=O)n1CC(=O)NCC1CN=C(N)NO1
InChIInChI=1S/C19H23F2N7O3/c1-11-7-25-17(23-5-4-12-2-3-13(20)6-15(12)21)18(30)28(11)10-16(29)24-8-14-9-26-19(22)27-31-14/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,23,25)(H,24,29)(H3,22,26,27)
InChIKeyHQLBTABLAOLXTQ-UHFFFAOYSA-N
MW435.44 g/mol
LogP-0.18
Rot. Bonds8

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

N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 22179385) has the molecular formula C19H23F2N7O3 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-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-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID22179385
Molecular FormulaC19H23F2N7O3
Molecular Weight435.44 g/mol
Exact Mass435.18
IUPAC NameN-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccc(F)cc2F)c(=O)n1CC(=O)NCC1CN=C(N)NO1
InChIInChI=1S/C19H23F2N7O3/c1-11-7-25-17(23-5-4-12-2-3-13(20)6-15(12)21)18(30)28(11)10-16(29)24-8-14-9-26-19(22)27-31-14/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,23,25)(H,24,29)(H3,22,26,27)
InChIKeyHQLBTABLAOLXTQ-UHFFFAOYSA-N
XLogP-0.18
TPSA135.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 5-0.18
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-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide with MolForge

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Related Compounds

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
N-(2-carbamimidoyloxazinan-5-yl)-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 10204200
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(3-cyclopropylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291383
N-(2-carbamimidoyloxazinan-5-yl)-2-[6-methyl-3-[2-(2-methylphenyl)ethylamino]-2-oxopyrazin-1-yl]acetamide
CID 10137357
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[2-(4-ethylphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 45104028
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291414
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
N-(2-carbamimidoyloxazinan-5-yl)-2-[3-[2-(1H-indol-3-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 22179384
2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide
CID 11048541
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003

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-(2,4-difluorophenyl)ethylamino]-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-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 22179385) is N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-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-(2,4-difluorophenyl)ethylamino]-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-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccc(F)cc2F)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-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is HQLBTABLAOLXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O3/c1-11-7-25-17(23-5-4-12-2-3-13(20)6-15(12)21)18(30)28(11)10-16(29)24-8-14-9-26-19(22)27-31-14/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,23,25)(H,24,29)(H3,22,26,27).
What are the key properties of N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 435.44 g/mol, XLogP of -0.18, 8 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-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 22179385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).