N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide

C20H18N4O3S — CID 167529411

IUPACN-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCc3c(-c4ccccn4)cncc32)cc1
InChIInChI=1S/C20H18N4O3S/c1-21-20(25)14-5-7-15(8-6-14)28(26,27)24-11-9-16-17(12-22-13-19(16)24)18-4-2-3-10-23-18/h2-8,10,12-13H,9,11H2,1H3,(H,21,25)
InChIKeyKBFDPEQAVSJXAJ-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide

N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide (PubChem CID 167529411) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide
PubChem CID167529411
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCc3c(-c4ccccn4)cncc32)cc1
InChIInChI=1S/C20H18N4O3S/c1-21-20(25)14-5-7-15(8-6-14)28(26,27)24-11-9-16-17(12-22-13-19(16)24)18-4-2-3-10-23-18/h2-8,10,12-13H,9,11H2,1H3,(H,21,25)
InChIKeyKBFDPEQAVSJXAJ-UHFFFAOYSA-N
XLogP2.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide?
The IUPAC name of N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide (CID 167529411) is N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide.
What is the SMILES notation for N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide?
The canonical SMILES for N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCc3c(-c4ccccn4)cncc32)cc1.
What is the InChIKey of N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide?
The InChIKey is KBFDPEQAVSJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-21-20(25)14-5-7-15(8-6-14)28(26,27)24-11-9-16-17(12-22-13-19(16)24)18-4-2-3-10-23-18/h2-8,10,12-13H,9,11H2,1H3,(H,21,25).
What are the key properties of N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide?
N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide has a molecular weight of 394.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-pyridin-2-yl-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 167529411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).