ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid

C18H20N6O4S — CID 57375756

IUPACethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid
SMILESCCN(C(=O)O)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c2ncc(C)nc2n1
InChIInChI=1S/C18H20N6O4S/c1-3-24(18(25)26)15-8-14(16-17(23-15)22-11(2)9-21-16)20-10-12-4-6-13(7-5-12)29(19,27)28/h4-9H,3,10H2,1-2H3,(H,25,26)(H2,19,27,28)(H,20,22,23)
InChIKeyBNGVLBWHTPVCAJ-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.10
Rot. Bonds6

About ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid

ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid (PubChem CID 57375756) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid.

Molecular Properties

Compound Nameethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid
PubChem CID57375756
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC Nameethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid
SMILESCCN(C(=O)O)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c2ncc(C)nc2n1
InChIInChI=1S/C18H20N6O4S/c1-3-24(18(25)26)15-8-14(16-17(23-15)22-11(2)9-21-16)20-10-12-4-6-13(7-5-12)29(19,27)28/h4-9H,3,10H2,1-2H3,(H,25,26)(H2,19,27,28)(H,20,22,23)
InChIKeyBNGVLBWHTPVCAJ-UHFFFAOYSA-N
XLogP2.10
TPSA151.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[5,6-diamino-4-[(4-sulfamoylphenyl)methylamino]-2-pyridinyl]-ethylcarbamic acid
CID 57375750
N-[3-(4-chlorophenyl)-8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]pyrido[2,3-b]pyrazin-6-yl]-N-ethylcarbamate
CID 57375425
4-[[[6-(diethylamino)-1-methylpyrazolo[5,4-b]pyridin-4-yl]amino]methyl]benzenesulfonamide
CID 156539103
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
[4-[4-ethoxy-2-[(4-sulfamoylphenyl)methylamino]quinazolin-6-yl]phenyl]urea
CID 68599575
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726

Frequently Asked Questions

What is the IUPAC name of ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid?
The IUPAC name of ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid (CID 57375756) is ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid.
What is the SMILES notation for ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid?
The canonical SMILES for ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid is CCN(C(=O)O)c1cc(NCc2ccc(S(N)(=O)=O)cc2)c2ncc(C)nc2n1.
What is the InChIKey of ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid?
The InChIKey is BNGVLBWHTPVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-3-24(18(25)26)15-8-14(16-17(23-15)22-11(2)9-21-16)20-10-12-4-6-13(7-5-12)29(19,27)28/h4-9H,3,10H2,1-2H3,(H,25,26)(H2,19,27,28)(H,20,22,23).
What are the key properties of ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid?
ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid has a molecular weight of 416.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-methyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamic acid is sourced from PubChem (CID 57375756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).