N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C14H20N4O2S — CID 134271150

IUPACN-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCN(c1ccnc2[nH]ccc12)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H20N4O2S/c1-17(11-4-3-9-18(10-11)21(2,19)20)13-6-8-16-14-12(13)5-7-15-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyMEEQZASITXDAEJ-LLVKDONJSA-N
MW308.41 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 134271150) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID134271150
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCN(c1ccnc2[nH]ccc12)[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H20N4O2S/c1-17(11-4-3-9-18(10-11)21(2,19)20)13-6-8-16-14-12(13)5-7-15-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyMEEQZASITXDAEJ-LLVKDONJSA-N
XLogP1.42
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rolodine
CID 5359646
Oclacitinib
CID 44631938
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
N-({1-[(1r,2r,4s)-Bicyclo[2.2.1]hept-2-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridin-2-Yl}methyl)methanesulfonamide
CID 66557868
4-cyano-N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]pyridine-2-sulfonamide
CID 78324135
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
2-Methyl-1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339437
1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339438
1-Cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
CID 58395044
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
CID 71277531
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 134271150) is N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is CN(c1ccnc2[nH]ccc12)[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is MEEQZASITXDAEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17(11-4-3-9-18(10-11)21(2,19)20)13-6-8-16-14-12(13)5-7-15-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 308.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 134271150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).