N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide

C15H18N4O2S — CID 126841044

IUPACN-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N=S(C)(=O)c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C15H18N4O2S/c1-11-9-17-14(10-16-11)15(20)18-22(4,21)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3
InChIKeyVONFVCSTDMNVGT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.15
Rot. Bonds3

About N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide

N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide (PubChem CID 126841044) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide
PubChem CID126841044
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N=S(C)(=O)c2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C15H18N4O2S/c1-11-9-17-14(10-16-11)15(20)18-22(4,21)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3
InChIKeyVONFVCSTDMNVGT-UHFFFAOYSA-N
XLogP2.15
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[methyl-(4-nitrophenyl)-oxo-λ6-sulfanylidene]urea
CID 59550835
methylimino-(5-methylpyrazine-2-carbonyl)iminoazanium
CID 143174274
2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine
CID 145190947
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340
(E)-1-(5-methylpyrazin-2-yl)but-2-en-1-one
CID 126657356
N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
CID 141406084
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
4-[4-(dimethylamino)anilino]benzenesulfonic acid
CID 22146835
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide
CID 5142143

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide (CID 126841044) is N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N=S(C)(=O)c2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide?
The InChIKey is VONFVCSTDMNVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-9-17-14(10-16-11)15(20)18-22(4,21)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide?
N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 126841044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).