[4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate

C20H21N5O4S — CID 70978080

IUPAC[4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OS(=O)(=O)N(C)C)ccc2C)cn1
InChIInChI=1S/C20H21N5O4S/c1-13-5-6-15(29-30(27,28)25(3)4)9-16(13)18-11-23-19(12-22-18)24-20(26)17-10-21-8-7-14(17)2/h5-12H,1-4H3,(H,23,24,26)
InChIKeyRUKCNHZATBNBQQ-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.59
Rot. Bonds6

About [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate

[4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate (PubChem CID 70978080) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate
PubChem CID70978080
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name[4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(OS(=O)(=O)N(C)C)ccc2C)cn1
InChIInChI=1S/C20H21N5O4S/c1-13-5-6-15(29-30(27,28)25(3)4)9-16(13)18-11-23-19(12-22-18)24-20(26)17-10-21-8-7-14(17)2/h5-12H,1-4H3,(H,23,24,26)
InChIKeyRUKCNHZATBNBQQ-UHFFFAOYSA-N
XLogP2.59
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate (CID 70978080) is [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate is Cc1ccncc1C(=O)Nc1cnc(-c2cc(OS(=O)(=O)N(C)C)ccc2C)cn1.
What is the InChIKey of [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate?
The InChIKey is RUKCNHZATBNBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-13-5-6-15(29-30(27,28)25(3)4)9-16(13)18-11-23-19(12-22-18)24-20(26)17-10-21-8-7-14(17)2/h5-12H,1-4H3,(H,23,24,26).
What are the key properties of [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate?
[4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate has a molecular weight of 427.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[5-[(4-methylpyridine-3-carbonyl)amino]pyrazin-2-yl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 70978080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).