N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C23H24ClN5O4S — CID 121252018

IUPACN-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3cncc(Cl)c3)n2)C(C)(C)C1
InChIInChI=1S/C23H24ClN5O4S/c1-15-11-23(2,3)29(14-15)21-18(6-5-9-26-21)22(30)28-34(31,32)20-8-4-7-19(27-20)33-17-10-16(24)12-25-13-17/h4-10,12-13,15H,11,14H2,1-3H3,(H,28,30)
InChIKeyNCUAQKZTNYOTQK-UHFFFAOYSA-N
MW502.00 g/mol
LogP4.06
Rot. Bonds6

About N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121252018) has the molecular formula C23H24ClN5O4S and a molecular weight of 502.00 g/mol. Its IUPAC name is N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121252018
Molecular FormulaC23H24ClN5O4S
Molecular Weight502.00 g/mol
Exact Mass501.12
IUPAC NameN-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3cncc(Cl)c3)n2)C(C)(C)C1
InChIInChI=1S/C23H24ClN5O4S/c1-15-11-23(2,3)29(14-15)21-18(6-5-9-26-21)22(30)28-34(31,32)20-8-4-7-19(27-20)33-17-10-16(24)12-25-13-17/h4-10,12-13,15H,11,14H2,1-3H3,(H,28,30)
InChIKeyNCUAQKZTNYOTQK-UHFFFAOYSA-N
XLogP4.06
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.00
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121252018) is N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3cncc(Cl)c3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is NCUAQKZTNYOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S/c1-15-11-23(2,3)29(14-15)21-18(6-5-9-26-21)22(30)28-34(31,32)20-8-4-7-19(27-20)33-17-10-16(24)12-25-13-17/h4-10,12-13,15H,11,14H2,1-3H3,(H,28,30).
What are the key properties of N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 502.00 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121252018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).