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

C23H25ClN6O3S — CID 121253172

IUPACN-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CC(N(C1)C2=C(C=CC=N2)C(=O)NS(=O)(=O)C3=CC=CC(=N3)NC4=NC=C(C=C4)Cl)(C)C
InChIInChI=1S/C23H25ClN6O3S/c1-15-12-23(2,3)30(14-15)21-17(6-5-11-25-21)22(31)29-34(32,33)20-8-4-7-19(28-20)27-18-10-9-16(24)13-26-18/h4-11,13,15H,12,14H2,1-3H3,(H,29,31)(H,26,27,28)
InChIKeyWPIHIXHJGXDTKJ-UHFFFAOYSA-N
MW501.00 g/mol
LogP4.30
Rot. Bonds6

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

N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253172) has the molecular formula C23H25ClN6O3S and a molecular weight of 501.00 g/mol. Its IUPAC name is N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253172
Molecular FormulaC23H25ClN6O3S
Molecular Weight501.00 g/mol
Exact Mass500.14
IUPAC NameN-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CC(N(C1)C2=C(C=CC=N2)C(=O)NS(=O)(=O)C3=CC=CC(=N3)NC4=NC=C(C=C4)Cl)(C)C
InChIInChI=1S/C23H25ClN6O3S/c1-15-12-23(2,3)30(14-15)21-17(6-5-11-25-21)22(31)29-34(32,33)20-8-4-7-19(28-20)27-18-10-9-16(24)13-26-18/h4-11,13,15H,12,14H2,1-3H3,(H,29,31)(H,26,27,28)
InChIKeyWPIHIXHJGXDTKJ-UHFFFAOYSA-N
XLogP4.30
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity822

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.00
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797
US11377438, Example 53
CID 146525760
[6-(5-Chloro-pyridin-2-ylamino)-pyridin-3-yl]-piperidin-1-yl-methanone
CID 23725388
US11377438, Example 164
CID 146525660
US11377438, Example 10
CID 146525664
US11377438, Example 128
CID 146525669
US11377438, Example 47
CID 146525676
US11377438, Example 87
CID 146525688
US11377438, Example 80
CID 146525694
US11377438, Example 56
CID 146525698

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253172) is N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CC(N(C1)C2=C(C=CC=N2)C(=O)NS(=O)(=O)C3=CC=CC(=N3)NC4=NC=C(C=C4)Cl)(C)C.
What is the InChIKey of N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WPIHIXHJGXDTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O3S/c1-15-12-23(2,3)30(14-15)21-17(6-5-11-25-21)22(31)29-34(32,33)20-8-4-7-19(28-20)27-18-10-9-16(24)13-26-18/h4-11,13,15H,12,14H2,1-3H3,(H,29,31)(H,26,27,28).
What are the key properties of N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 501.00 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-chloro-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).