N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide

C14H20N4O2S — CID 11822996

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(C)(=O)=O)nc23)CC1
InChIInChI=1S/C14H20N4O2S/c1-18-7-5-10(6-8-18)11-9-15-12-3-4-13(16-14(11)12)17-21(2,19)20/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyOWQAKCJQWBWSAP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.74
Rot. Bonds3

About N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide (PubChem CID 11822996) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide
PubChem CID11822996
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(C)(=O)=O)nc23)CC1
InChIInChI=1S/C14H20N4O2S/c1-18-7-5-10(6-8-18)11-9-15-12-3-4-13(16-14(11)12)17-21(2,19)20/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyOWQAKCJQWBWSAP-UHFFFAOYSA-N
XLogP1.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997
2-[(3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylacetonitrile
CID 58177456
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
CID 67156504
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69809726
N-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811602
N-[(3S,5S)-5-methyl-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811936
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69812740
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 1482877
US20240368153, Example 9-2
CID 165416403
1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole
CID 11149794

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide (CID 11822996) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide is CN1CCC(c2c[nH]c3ccc(NS(C)(=O)=O)nc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide?
The InChIKey is OWQAKCJQWBWSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-18-7-5-10(6-8-18)11-9-15-12-3-4-13(16-14(11)12)17-21(2,19)20/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]methanesulfonamide is sourced from PubChem (CID 11822996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).