N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide

C20H16N4O3S — CID 118238041

IUPACN-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)ccn1
InChIInChI=1S/C20H16N4O3S/c1-14(25)23-20-12-15(7-9-21-20)16-11-19-18(22-13-16)8-10-24(19)28(26,27)17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23,25)
InChIKeyLWSVPXUPRRRYDG-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.29
Rot. Bonds4

About N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide

N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide (PubChem CID 118238041) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide
PubChem CID118238041
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)ccn1
InChIInChI=1S/C20H16N4O3S/c1-14(25)23-20-12-15(7-9-21-20)16-11-19-18(22-13-16)8-10-24(19)28(26,27)17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23,25)
InChIKeyLWSVPXUPRRRYDG-UHFFFAOYSA-N
XLogP3.29
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide (CID 118238041) is N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3ccn(S(=O)(=O)c4ccccc4)c3c2)ccn1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is LWSVPXUPRRRYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-14(25)23-20-12-15(7-9-21-20)16-11-19-18(22-13-16)8-10-24(19)28(26,27)17-5-3-2-4-6-17/h2-13H,1H3,(H,21,23,25).
What are the key properties of N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide?
N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118238041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).