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

C24H30F3N5O3S — CID 121252488

IUPACN-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(C(F)(F)F)CC3)n2)C(C)(C)C1
InChIInChI=1S/C24H30F3N5O3S/c1-16-14-23(2,3)32(15-16)21-18(6-5-11-28-21)22(33)30-36(34,35)20-8-4-7-19(29-20)31-12-9-17(10-13-31)24(25,26)27/h4-8,11,16-17H,9-10,12-15H2,1-3H3,(H,30,33)
InChIKeyYDWFTQZKEZGOOW-UHFFFAOYSA-N
MW525.60 g/mol
LogP4.00
Rot. Bonds5

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

N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121252488) has the molecular formula C24H30F3N5O3S and a molecular weight of 525.60 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121252488
Molecular FormulaC24H30F3N5O3S
Molecular Weight525.60 g/mol
Exact Mass525.20
IUPAC NameN-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(C(F)(F)F)CC3)n2)C(C)(C)C1
InChIInChI=1S/C24H30F3N5O3S/c1-16-14-23(2,3)32(15-16)21-18(6-5-11-28-21)22(33)30-36(34,35)20-8-4-7-19(29-20)31-12-9-17(10-13-31)24(25,26)27/h4-8,11,16-17H,9-10,12-15H2,1-3H3,(H,30,33)
InChIKeyYDWFTQZKEZGOOW-UHFFFAOYSA-N
XLogP4.00
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121252488) is N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N3CCC(C(F)(F)F)CC3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YDWFTQZKEZGOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O3S/c1-16-14-23(2,3)32(15-16)21-18(6-5-11-28-21)22(33)30-36(34,35)20-8-4-7-19(29-20)31-12-9-17(10-13-31)24(25,26)27/h4-8,11,16-17H,9-10,12-15H2,1-3H3,(H,30,33).
What are the key properties of N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 525.60 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121252488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).