4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide

C25H24N4O5S — CID 71059777

IUPAC4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C(=O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)ccnc1OC
InChIInChI=1S/C25H24N4O5S/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/h6-16H,4-5H2,1-3H3
InChIKeyXZJKELWCYFCNIL-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.39
Rot. Bonds8

About 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide

4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide (PubChem CID 71059777) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
PubChem CID71059777
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C(=O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)ccnc1OC
InChIInChI=1S/C25H24N4O5S/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/h6-16H,4-5H2,1-3H3
InChIKeyXZJKELWCYFCNIL-UHFFFAOYSA-N
XLogP3.39
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1-hydroxyethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
CID 71059690
4-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide
CID 71059564
N,N-diethyl-4-(hydroxymethyl)-2-methoxypyridine-3-carboxamide
CID 19978643
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
[1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethenyl] 4-methylbenzenesulfonate
CID 86654505
3-[(Z)-1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylbut-1-enyl]-N,N-dimethylaniline
CID 67229150
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 53486942
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanol
CID 2767904
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
The IUPAC name of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide (CID 71059777) is 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-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]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
The InChIKey is XZJKELWCYFCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/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/h6-16H,4-5H2,1-3H3.
What are the key properties of 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide?
4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbonyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 71059777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).