3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine

C24H23N5O2S — CID 44526983

IUPAC3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H23N5O2S/c25-24-23(32(30,31)29-12-2-1-3-13-29)15-19(16-28-24)18-4-5-22-21(14-18)20(8-11-27-22)17-6-9-26-10-7-17/h4-11,14-16H,1-3,12-13H2,(H2,25,28)
InChIKeyXYNROTRFLDJPMA-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.12
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine

3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine (PubChem CID 44526983) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
PubChem CID44526983
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H23N5O2S/c25-24-23(32(30,31)29-12-2-1-3-13-29)15-19(16-28-24)18-4-5-22-21(14-18)20(8-11-27-22)17-6-9-26-10-7-17/h4-11,14-16H,1-3,12-13H2,(H2,25,28)
InChIKeyXYNROTRFLDJPMA-UHFFFAOYSA-N
XLogP4.12
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The IUPAC name of 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine (CID 44526983) is 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine is Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
The InChIKey is XYNROTRFLDJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c25-24-23(32(30,31)29-12-2-1-3-13-29)15-19(16-28-24)18-4-5-22-21(14-18)20(8-11-27-22)17-6-9-26-10-7-17/h4-11,14-16H,1-3,12-13H2,(H2,25,28).
What are the key properties of 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine?
3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine has a molecular weight of 445.55 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridin-2-amine is sourced from PubChem (CID 44526983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).