2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

C21H19N5O3S — CID 59860121

IUPAC2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)NCCO
InChIInChI=1S/C21H19N5O3S/c22-21-20(30(28,29)26-9-10-27)12-16(13-25-21)15-1-2-19-18(11-15)17(5-8-24-19)14-3-6-23-7-4-14/h1-8,11-13,26-27H,9-10H2,(H2,22,25)
InChIKeyBCTWWCIHSNHNCP-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.21
Rot. Bonds6

About 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 59860121) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID59860121
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)NCCO
InChIInChI=1S/C21H19N5O3S/c22-21-20(30(28,29)26-9-10-27)12-16(13-25-21)15-1-2-19-18(11-15)17(5-8-24-19)14-3-6-23-7-4-14/h1-8,11-13,26-27H,9-10H2,(H2,22,25)
InChIKeyBCTWWCIHSNHNCP-UHFFFAOYSA-N
XLogP2.21
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (CID 59860121) is 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)NCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is BCTWWCIHSNHNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c22-21-20(30(28,29)26-9-10-27)12-16(13-25-21)15-1-2-19-18(11-15)17(5-8-24-19)14-3-6-23-7-4-14/h1-8,11-13,26-27H,9-10H2,(H2,22,25).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 421.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 59860121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).