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

C29H39N7O3S — CID 175515763

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cnc1N(C)CC(C)C
InChIInChI=1S/C29H39N7O3S/c1-18(2)17-35(7)26-19(3)15-21(16-31-26)23-12-11-22(27(32-23)36-14-13-20(4)29(36,5)6)28(37)34-40(38,39)25-10-8-9-24(30)33-25/h8-12,15-16,18,20H,13-14,17H2,1-7H3,(H2,30,33)(H,34,37)
InChIKeyZSCQNKZWESINPH-UHFFFAOYSA-N
MW565.74 g/mol
LogP4.26
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515763) has the molecular formula C29H39N7O3S and a molecular weight of 565.74 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515763
Molecular FormulaC29H39N7O3S
Molecular Weight565.74 g/mol
Exact Mass565.28
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cnc1N(C)CC(C)C
InChIInChI=1S/C29H39N7O3S/c1-18(2)17-35(7)26-19(3)15-21(16-31-26)23-12-11-22(27(32-23)36-14-13-20(4)29(36,5)6)28(37)34-40(38,39)25-10-8-9-24(30)33-25/h8-12,15-16,18,20H,13-14,17H2,1-7H3,(H2,30,33)(H,34,37)
InChIKeyZSCQNKZWESINPH-UHFFFAOYSA-N
XLogP4.26
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.74
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515763) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)cnc1N(C)CC(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZSCQNKZWESINPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O3S/c1-18(2)17-35(7)26-19(3)15-21(16-31-26)23-12-11-22(27(32-23)36-14-13-20(4)29(36,5)6)28(37)34-40(38,39)25-10-8-9-24(30)33-25/h8-12,15-16,18,20H,13-14,17H2,1-7H3,(H2,30,33)(H,34,37).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 565.74 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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