N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C20H24N4O4S — CID 123433154

IUPACN-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C20H24N4O4S/c25-18-2-1-9-24(14-18)29(27,28)19-5-3-15(4-6-19)10-22-20(26)23-12-16-7-8-21-11-17(16)13-23/h3-8,11,18,25H,1-2,9-10,12-14H2,(H,22,26)
InChIKeyDIIKMUVYXIJPJH-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.45
Rot. Bonds4

About N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 123433154) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID123433154
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1)N1Cc2ccncc2C1
InChIInChI=1S/C20H24N4O4S/c25-18-2-1-9-24(14-18)29(27,28)19-5-3-15(4-6-19)10-22-20(26)23-12-16-7-8-21-11-17(16)13-23/h3-8,11,18,25H,1-2,9-10,12-14H2,(H,22,26)
InChIKeyDIIKMUVYXIJPJH-UHFFFAOYSA-N
XLogP1.45
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 158996862
N-[[4-(benzenesulfonyl)phenyl]methyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 66634544
N-[[4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]methyl]acetamide
CID 62917136
N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118193597
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
N-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123945372
N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97139801
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 123433154) is N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1)N1Cc2ccncc2C1.
What is the InChIKey of N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is DIIKMUVYXIJPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-18-2-1-9-24(14-18)29(27,28)19-5-3-15(4-6-19)10-22-20(26)23-12-16-7-8-21-11-17(16)13-23/h3-8,11,18,25H,1-2,9-10,12-14H2,(H,22,26).
What are the key properties of N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 123433154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).