N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C28H29N5O4S — CID 175515640

IUPACN-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(Oc3cccc(S(=O)(=O)NC(=O)c4cccnc4N4CCC(C)C4(C)C)n3)c2n1
InChIInChI=1S/C28H29N5O4S/c1-18-15-17-33(28(18,3)4)26-21(9-7-16-29-26)27(34)32-38(35,36)24-12-6-11-23(31-24)37-22-10-5-8-20-14-13-19(2)30-25(20)22/h5-14,16,18H,15,17H2,1-4H3,(H,32,34)
InChIKeyPROPSVBNZKBEMP-UHFFFAOYSA-N
MW531.64 g/mol
LogP4.87
Rot. Bonds6

About N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515640) has the molecular formula C28H29N5O4S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515640
Molecular FormulaC28H29N5O4S
Molecular Weight531.64 g/mol
Exact Mass531.19
IUPAC NameN-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(Oc3cccc(S(=O)(=O)NC(=O)c4cccnc4N4CCC(C)C4(C)C)n3)c2n1
InChIInChI=1S/C28H29N5O4S/c1-18-15-17-33(28(18,3)4)26-21(9-7-16-29-26)27(34)32-38(35,36)24-12-6-11-23(31-24)37-22-10-5-8-20-14-13-19(2)30-25(20)22/h5-14,16,18H,15,17H2,1-4H3,(H,32,34)
InChIKeyPROPSVBNZKBEMP-UHFFFAOYSA-N
XLogP4.87
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.64
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515042
N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515050
N-[[6-(cyclopropylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515394
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514810
N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515296
N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514772
N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514707
N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514887
N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515771
N-[[6-(2-methyl-2-pyrrol-1-ylpropoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515702
N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515392
N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515461

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515640) is N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1ccc2cccc(Oc3cccc(S(=O)(=O)NC(=O)c4cccnc4N4CCC(C)C4(C)C)n3)c2n1.
What is the InChIKey of N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is PROPSVBNZKBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4S/c1-18-15-17-33(28(18,3)4)26-21(9-7-16-29-26)27(34)32-38(35,36)24-12-6-11-23(31-24)37-22-10-5-8-20-14-13-19(2)30-25(20)22/h5-14,16,18H,15,17H2,1-4H3,(H,32,34).
What are the key properties of N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 531.64 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylquinolin-8-yl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).