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

C24H28N6O4S — CID 175515392

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

IUPACN-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)n1
InChIInChI=1S/C24H28N6O4S/c1-16-13-15-30(24(16,2)3)22-17(8-7-14-25-22)23(31)29-35(32,33)21-12-6-10-19(28-21)26-18-9-5-11-20(27-18)34-4/h5-12,14,16H,13,15H2,1-4H3,(H,29,31)(H,26,27,28)
InChIKeyJWJLPFGOAJLPNL-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.37
Rot. Bonds7

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

N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515392) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515392
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC NameN-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)n1
InChIInChI=1S/C24H28N6O4S/c1-16-13-15-30(24(16,2)3)22-17(8-7-14-25-22)23(31)29-35(32,33)21-12-6-10-19(28-21)26-18-9-5-11-20(27-18)34-4/h5-12,14,16H,13,15H2,1-4H3,(H,29,31)(H,26,27,28)
InChIKeyJWJLPFGOAJLPNL-UHFFFAOYSA-N
XLogP3.37
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515392) is N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1cccc(Nc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)n1.
What is the InChIKey of N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is JWJLPFGOAJLPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-16-13-15-30(24(16,2)3)22-17(8-7-14-25-22)23(31)29-35(32,33)21-12-6-10-19(28-21)26-18-9-5-11-20(27-18)34-4/h5-12,14,16H,13,15H2,1-4H3,(H,29,31)(H,26,27,28).
What are the key properties of N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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