N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide

C22H19N3O5S — CID 170785503

IUPACN-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccnc(C(=O)NCCO)c4)c3o2)cc1
InChIInChI=1S/C22H19N3O5S/c1-31(28,29)16-4-2-14(3-5-16)20-13-18-21(30-20)17(7-9-23-18)15-6-8-24-19(12-15)22(27)25-10-11-26/h2-9,12-13,26H,10-11H2,1H3,(H,25,27)
InChIKeySZFIBAUISLMAFK-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.68
Rot. Bonds6

About N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide

N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide (PubChem CID 170785503) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
PubChem CID170785503
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC NameN-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccnc(C(=O)NCCO)c4)c3o2)cc1
InChIInChI=1S/C22H19N3O5S/c1-31(28,29)16-4-2-14(3-5-16)20-13-18-21(30-20)17(7-9-23-18)15-6-8-24-19(12-15)22(27)25-10-11-26/h2-9,12-13,26H,10-11H2,1H3,(H,25,27)
InChIKeySZFIBAUISLMAFK-UHFFFAOYSA-N
XLogP2.68
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-methoxy-4-pyridinyl)-2-(4-methylsulfonylphenyl)furo[3,2-b]pyridine
CID 170785545
2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
CID 170785472
[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone
CID 170785203
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 170785546
2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
CID 170785489
2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
CID 170785473
N,N-dimethyl-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 170785533
2-[4-[7-(6-amino-3-pyridinyl)furo[3,2-b]pyridin-2-yl]phenyl]ethanol
CID 66779807
(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
(3-methylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 174249663
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide (CID 170785503) is N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide is CS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccnc(C(=O)NCCO)c4)c3o2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide?
The InChIKey is SZFIBAUISLMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-31(28,29)16-4-2-14(3-5-16)20-13-18-21(30-20)17(7-9-23-18)15-6-8-24-19(12-15)22(27)25-10-11-26/h2-9,12-13,26H,10-11H2,1H3,(H,25,27).
What are the key properties of N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170785503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).