N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide

C18H18N6O3S — CID 176830776

IUPACN-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
SMILESCc1nc(Oc2nc(-c3cncc(C#N)c3)ccc2NS(C)(=O)=O)c(C)n1C
InChIInChI=1S/C18H18N6O3S/c1-11-17(21-12(2)24(11)3)27-18-16(23-28(4,25)26)6-5-15(22-18)14-7-13(8-19)9-20-10-14/h5-7,9-10,23H,1-4H3
InChIKeyISFMKENTOPRLRK-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.53
Rot. Bonds5

About N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide

N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide (PubChem CID 176830776) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
PubChem CID176830776
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
SMILESCc1nc(Oc2nc(-c3cncc(C#N)c3)ccc2NS(C)(=O)=O)c(C)n1C
InChIInChI=1S/C18H18N6O3S/c1-11-17(21-12(2)24(11)3)27-18-16(23-28(4,25)26)6-5-15(22-18)14-7-13(8-19)9-20-10-14/h5-7,9-10,23H,1-4H3
InChIKeyISFMKENTOPRLRK-UHFFFAOYSA-N
XLogP2.53
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
N-[6-(5-cyano-3-pyridinyl)-2-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidin-5-yl]oxy-3-pyridinyl]methanesulfonamide
CID 176830686
N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
CID 176830628
N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830557
tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
CID 130471260
N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830892
6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
CID 176830572
5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830626
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
CID 176830925
5-(6-fluoro-2-pyridinyl)pyridine-3-carbonitrile
CID 71303551
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830833
6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
CID 176830563

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide (CID 176830776) is N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide is Cc1nc(Oc2nc(-c3cncc(C#N)c3)ccc2NS(C)(=O)=O)c(C)n1C.
What is the InChIKey of N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide?
The InChIKey is ISFMKENTOPRLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-11-17(21-12(2)24(11)3)27-18-16(23-28(4,25)26)6-5-15(22-18)14-7-13(8-19)9-20-10-14/h5-7,9-10,23H,1-4H3.
What are the key properties of N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide?
N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide has a molecular weight of 398.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 176830776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).