N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide

C25H25N5O3S — CID 176830628

IUPACN-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
SMILESCc1cc(C2CC2)nc(C)c1Oc1nc(-c2cncc(C#N)c2)ccc1NS(=O)(=O)C1CCC1
InChIInChI=1S/C25H25N5O3S/c1-15-10-23(18-6-7-18)28-16(2)24(15)33-25-22(30-34(31,32)20-4-3-5-20)9-8-21(29-25)19-11-17(12-26)13-27-14-19/h8-11,13-14,18,20,30H,3-7H2,1-2H3
InChIKeyNWFWLQSPJZQSFR-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.99
Rot. Bonds7

About N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide

N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide (PubChem CID 176830628) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
PubChem CID176830628
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
SMILESCc1cc(C2CC2)nc(C)c1Oc1nc(-c2cncc(C#N)c2)ccc1NS(=O)(=O)C1CCC1
InChIInChI=1S/C25H25N5O3S/c1-15-10-23(18-6-7-18)28-16(2)24(15)33-25-22(30-34(31,32)20-4-3-5-20)9-8-21(29-25)19-11-17(12-26)13-27-14-19/h8-11,13-14,18,20,30H,3-7H2,1-2H3
InChIKeyNWFWLQSPJZQSFR-UHFFFAOYSA-N
XLogP4.99
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

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-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830557
6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
CID 176830572
N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830776
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide
CID 176830664
5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830626
6-(5-cyano-3-pyridinyl)-2-[[2-cyclopropyl-6-(difluoromethyl)-4-methyl-3-pyridinyl]oxy]-N-(oxetan-3-yl)pyridine-3-sulfonamide
CID 176830563
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
CID 176830925
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830833
N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830892
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-(pyridin-3-ylsulfonimidoyl)-2-pyridinyl]pyridine-3-carbonitrile
CID 176830731

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide?
The IUPAC name of N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide (CID 176830628) is N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide?
The canonical SMILES for N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide is Cc1cc(C2CC2)nc(C)c1Oc1nc(-c2cncc(C#N)c2)ccc1NS(=O)(=O)C1CCC1.
What is the InChIKey of N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide?
The InChIKey is NWFWLQSPJZQSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-15-10-23(18-6-7-18)28-16(2)24(15)33-25-22(30-34(31,32)20-4-3-5-20)9-8-21(29-25)19-11-17(12-26)13-27-14-19/h8-11,13-14,18,20,30H,3-7H2,1-2H3.
What are the key properties of N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide?
N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide is sourced from PubChem (CID 176830628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).