[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate

C18H17F2N5O6S — CID 175605939

IUPAC[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate
SMILESCOc1ccnc(N2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(OC(=O)N=S(=O)=O)c1
InChIInChI=1S/C18H17F2N5O6S/c1-30-12-3-7-22-15(25-8-4-18(19,20)5-9-25)14(12)16(26)23-11-2-6-21-13(10-11)31-17(27)24-32(28)29/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,23,26)
InChIKeyWFYAQYDHJYCLIB-UHFFFAOYSA-N
MW469.43 g/mol
LogP2.53
Rot. Bonds5

About [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate

[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate (PubChem CID 175605939) has the molecular formula C18H17F2N5O6S and a molecular weight of 469.43 g/mol. Its IUPAC name is [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate.

Molecular Properties

Compound Name[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate
PubChem CID175605939
Molecular FormulaC18H17F2N5O6S
Molecular Weight469.43 g/mol
Exact Mass469.09
IUPAC Name[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate
SMILESCOc1ccnc(N2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(OC(=O)N=S(=O)=O)c1
InChIInChI=1S/C18H17F2N5O6S/c1-30-12-3-7-22-15(25-8-4-18(19,20)5-9-25)14(12)16(26)23-11-2-6-21-13(10-11)31-17(27)24-32(28)29/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,23,26)
InChIKeyWFYAQYDHJYCLIB-UHFFFAOYSA-N
XLogP2.53
TPSA140.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate with MolForge

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Related Compounds

[4-[[2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate
CID 175605921
[4-[(2,5-dichloro-4,6-dimethylpyridine-3-carbonyl)amino]-2-pyridinyl] N-sulfonylcarbamate
CID 175605958
2-(4,4-difluoroazepan-1-yl)-5-methoxy-4-methyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176694105
2-(4,4-difluoroazepan-1-yl)-6,7-dimethyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]quinoline-3-carboxamide
CID 177101555
tert-butyl N-[N-[tert-butyl(dimethyl)silyl]-S-[4-[[3-(4,4-difluoroazepan-1-yl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carbonyl]amino]-2-pyridinyl]sulfonimidoyl]carbamate
CID 169124231
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
2-(4,4-difluoroazepan-1-yl)-5-(3,3-difluoroazetidin-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124720
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
tert-butyl N-[[4-[[2-(4,4-difluoropiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carbonyl]amino]-2-pyridinyl]sulfonyl]carbamate
CID 156902015
2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 169124186
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-methylsulfanyl-4-pyridinyl)pyridine-3-carboxamide
CID 176693893
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-4-methyl-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 176694485

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate?
The IUPAC name of [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate (CID 175605939) is [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate.
What is the SMILES notation for [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate?
The canonical SMILES for [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate is COc1ccnc(N2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(OC(=O)N=S(=O)=O)c1.
What is the InChIKey of [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate?
The InChIKey is WFYAQYDHJYCLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O6S/c1-30-12-3-7-22-15(25-8-4-18(19,20)5-9-25)14(12)16(26)23-11-2-6-21-13(10-11)31-17(27)24-32(28)29/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,23,26).
What are the key properties of [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate?
[4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate has a molecular weight of 469.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4,4-difluoropiperidin-1-yl)-4-methoxypyridine-3-carbonyl]amino]-2-pyridinyl] N-sulfonylcarbamate is sourced from PubChem (CID 175605939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).