methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate

C16H16N6O4S — CID 118040893

IUPACmethyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate
SMILESCCN(C(=O)Nc1ccc2ncc(-c3ccncc3)nc2n1)S(=O)(=O)OC
InChIInChI=1S/C16H16N6O4S/c1-3-22(27(24,25)26-2)16(23)21-14-5-4-12-15(20-14)19-13(10-18-12)11-6-8-17-9-7-11/h4-10H,3H2,1-2H3,(H,19,20,21,23)
InChIKeyUZNBWBRHIACTQG-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.83
Rot. Bonds5

About methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate

methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate (PubChem CID 118040893) has the molecular formula C16H16N6O4S and a molecular weight of 388.41 g/mol. Its IUPAC name is methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate
PubChem CID118040893
Molecular FormulaC16H16N6O4S
Molecular Weight388.41 g/mol
Exact Mass388.10
IUPAC Namemethyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate
SMILESCCN(C(=O)Nc1ccc2ncc(-c3ccncc3)nc2n1)S(=O)(=O)OC
InChIInChI=1S/C16H16N6O4S/c1-3-22(27(24,25)26-2)16(23)21-14-5-4-12-15(20-14)19-13(10-18-12)11-6-8-17-9-7-11/h4-10H,3H2,1-2H3,(H,19,20,21,23)
InChIKeyUZNBWBRHIACTQG-UHFFFAOYSA-N
XLogP1.83
TPSA127.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate?
The IUPAC name of methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate (CID 118040893) is methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate.
What is the SMILES notation for methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate?
The canonical SMILES for methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate is CCN(C(=O)Nc1ccc2ncc(-c3ccncc3)nc2n1)S(=O)(=O)OC.
What is the InChIKey of methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate?
The InChIKey is UZNBWBRHIACTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S/c1-3-22(27(24,25)26-2)16(23)21-14-5-4-12-15(20-14)19-13(10-18-12)11-6-8-17-9-7-11/h4-10H,3H2,1-2H3,(H,19,20,21,23).
What are the key properties of methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate?
methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate has a molecular weight of 388.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]sulfamate is sourced from PubChem (CID 118040893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).