2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide

C23H28N6O2 — CID 139894101

IUPAC2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc(-n2c(C)cnc(NCCc3ccccc3)c2=O)c(C)c1N
InChIInChI=1S/C23H28N6O2/c1-14-13-27-21(26-11-10-17-8-6-5-7-9-17)23(31)29(14)22-15(2)20(24)18(16(3)28-22)12-19(30)25-4/h5-9,13H,10-12H2,1-4H3,(H2,24,28)(H,25,30)(H,26,27)
InChIKeyMBEJVMYYMAPDOH-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.08
Rot. Bonds7

About 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide

2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide (PubChem CID 139894101) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide
PubChem CID139894101
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc(-n2c(C)cnc(NCCc3ccccc3)c2=O)c(C)c1N
InChIInChI=1S/C23H28N6O2/c1-14-13-27-21(26-11-10-17-8-6-5-7-9-17)23(31)29(14)22-15(2)20(24)18(16(3)28-22)12-19(30)25-4/h5-9,13H,10-12H2,1-4H3,(H2,24,28)(H,25,30)(H,26,27)
InChIKeyMBEJVMYYMAPDOH-UHFFFAOYSA-N
XLogP2.08
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide with MolForge

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Related Compounds

N-[[3-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]methyl]acetamide
CID 70023566
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide
CID 162348948
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
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-phenylethylamino)-7,8,9,10-tetrahydro-6H-pyrazino[1,2-a]azepine-6-carboxamide;dihydrochloride
CID 70250292
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 157270560
N-[[6-amino-2-methyl-5-[6-methyl-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 54384731
N-[3-(diaminomethylideneamino)propyl]-2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;trihydrochloride
CID 162320818
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 86291054
1-ethyl-6-(4-methoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 142097212

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide?
The IUPAC name of 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide (CID 139894101) is 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide?
The canonical SMILES for 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide is CNC(=O)Cc1c(C)nc(-n2c(C)cnc(NCCc3ccccc3)c2=O)c(C)c1N.
What is the InChIKey of 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide?
The InChIKey is MBEJVMYYMAPDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14-13-27-21(26-11-10-17-8-6-5-7-9-17)23(31)29(14)22-15(2)20(24)18(16(3)28-22)12-19(30)25-4/h5-9,13H,10-12H2,1-4H3,(H2,24,28)(H,25,30)(H,26,27).
What are the key properties of 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide?
2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide has a molecular weight of 420.52 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2,5-dimethyl-6-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-3-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 139894101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).