N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C23H30FN5O3S — CID 175515771

IUPACN-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(F)CC3)n2)C1(C)C
InChIInChI=1S/C23H30FN5O3S/c1-16-9-15-29(23(16,2)3)21-18(6-5-12-25-21)22(30)27-33(31,32)20-8-4-7-19(26-20)28-13-10-17(24)11-14-28/h4-8,12,16-17H,9-11,13-15H2,1-3H3,(H,27,30)
InChIKeyZXSVHAVFMTZVCQ-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.16
Rot. Bonds5

About N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515771) has the molecular formula C23H30FN5O3S and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515771
Molecular FormulaC23H30FN5O3S
Molecular Weight475.59 g/mol
Exact Mass475.21
IUPAC NameN-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(F)CC3)n2)C1(C)C
InChIInChI=1S/C23H30FN5O3S/c1-16-9-15-29(23(16,2)3)21-18(6-5-12-25-21)22(30)27-33(31,32)20-8-4-7-19(26-20)28-13-10-17(24)11-14-28/h4-8,12,16-17H,9-11,13-15H2,1-3H3,(H,27,30)
InChIKeyZXSVHAVFMTZVCQ-UHFFFAOYSA-N
XLogP3.16
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(4-cyclohexylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515216
ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 175515499
N-[[6-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514951
N-[[6-(cyclopropylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515394
N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515296
N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514772
N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515392
N-[[6-(3,5-difluoro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515302
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514810
N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514887
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515042

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515771) is N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(F)CC3)n2)C1(C)C.
What is the InChIKey of N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZXSVHAVFMTZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O3S/c1-16-9-15-29(23(16,2)3)21-18(6-5-12-25-21)22(30)27-33(31,32)20-8-4-7-19(26-20)28-13-10-17(24)11-14-28/h4-8,12,16-17H,9-11,13-15H2,1-3H3,(H,27,30).
What are the key properties of N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).