5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one

C16H17N5O2 — CID 155209218

IUPAC5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one
SMILESCc1cc(-c2nc(CN)c(N)nc2-c2ccc(=O)n(C)c2)co1
InChIInChI=1S/C16H17N5O2/c1-9-5-11(8-23-9)15-14(20-16(18)12(6-17)19-15)10-3-4-13(22)21(2)7-10/h3-5,7-8H,6,17H2,1-2H3,(H2,18,20)
InChIKeyGKCDDFTWHUCSLB-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.45
Rot. Bonds3

About 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one

5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one (PubChem CID 155209218) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one
PubChem CID155209218
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one
SMILESCc1cc(-c2nc(CN)c(N)nc2-c2ccc(=O)n(C)c2)co1
InChIInChI=1S/C16H17N5O2/c1-9-5-11(8-23-9)15-14(20-16(18)12(6-17)19-15)10-3-4-13(22)21(2)7-10/h3-5,7-8H,6,17H2,1-2H3,(H2,18,20)
InChIKeyGKCDDFTWHUCSLB-UHFFFAOYSA-N
XLogP1.45
TPSA112.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
CID 170269892
5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one
CID 158406919
4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050
4-(4-bromophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821046
5-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]-1-methylpyridin-2-one
CID 168758976
5-[6-amino-2-[4-(dimethylamino)phenyl]-5-fluoropyrimidin-4-yl]-1-methylpyridin-2-one
CID 175582360
5-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
CID 117273827
3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 158459064
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678730
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678705
tris(5-[5-amino-6-[3-(2,6-difluorophenyl)butanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one);3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-(2,6-difluorophenyl)ethanamine
CID 159403485
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid
CID 24798371

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one (CID 155209218) is 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one is Cc1cc(-c2nc(CN)c(N)nc2-c2ccc(=O)n(C)c2)co1.
What is the InChIKey of 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
The InChIKey is GKCDDFTWHUCSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9-5-11(8-23-9)15-14(20-16(18)12(6-17)19-15)10-3-4-13(22)21(2)7-10/h3-5,7-8H,6,17H2,1-2H3,(H2,18,20).
What are the key properties of 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one has a molecular weight of 311.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-(aminomethyl)-3-(5-methylfuran-3-yl)pyrazin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 155209218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).