4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide

C25H26N4O5S — CID 71059564

IUPAC4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C(O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)ccnc1OC
InChIInChI=1S/C25H26N4O5S/c1-4-28(5-2)25(31)21-19(13-15-27-24(21)34-3)22(30)20-16-17-10-9-14-26-23(17)29(20)35(32,33)18-11-7-6-8-12-18/h6-16,22,30H,4-5H2,1-3H3
InChIKeyNLWOOVWLOKAMBC-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.24
Rot. Bonds8

About 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide

4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide (PubChem CID 71059564) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
PubChem CID71059564
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C(O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)ccnc1OC
InChIInChI=1S/C25H26N4O5S/c1-4-28(5-2)25(31)21-19(13-15-27-24(21)34-3)22(30)20-16-17-10-9-14-26-23(17)29(20)35(32,33)18-11-7-6-8-12-18/h6-16,22,30H,4-5H2,1-3H3
InChIKeyNLWOOVWLOKAMBC-UHFFFAOYSA-N
XLogP3.24
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
CID 71059777
4-[1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1-hydroxyethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
CID 71059690
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol
CID 2767904
N,N-diethyl-4-(hydroxymethyl)-2-methoxypyridine-3-carboxamide
CID 19978643
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-2-(5-bromo-2-pyridinyl)-2-cyclopentylethanol
CID 123439948
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
The IUPAC name of 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide (CID 71059564) is 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide is CCN(CC)C(=O)c1c(C(O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)ccnc1OC.
What is the InChIKey of 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
The InChIKey is NLWOOVWLOKAMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-4-28(5-2)25(31)21-19(13-15-27-24(21)34-3)22(30)20-16-17-10-9-14-26-23(17)29(20)35(32,33)18-11-7-6-8-12-18/h6-16,22,30H,4-5H2,1-3H3.
What are the key properties of 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 71059564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).