N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide

C16H16N6O2S — CID 71277542

IUPACN-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1ncccc1CNc1c(C#N)cnc2[nH]ccc12)S(C)(=O)=O
InChIInChI=1S/C16H16N6O2S/c1-22(25(2,23)24)16-11(4-3-6-19-16)9-20-14-12(8-17)10-21-15-13(14)5-7-18-15/h3-7,10H,9H2,1-2H3,(H2,18,20,21)
InChIKeyFVYZBIDFHQMXCK-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.84
Rot. Bonds5

About N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide

N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 71277542) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID71277542
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC NameN-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1ncccc1CNc1c(C#N)cnc2[nH]ccc12)S(C)(=O)=O
InChIInChI=1S/C16H16N6O2S/c1-22(25(2,23)24)16-11(4-3-6-19-16)9-20-14-12(8-17)10-21-15-13(14)5-7-18-15/h3-7,10H,9H2,1-2H3,(H2,18,20,21)
InChIKeyFVYZBIDFHQMXCK-UHFFFAOYSA-N
XLogP1.84
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide (CID 71277542) is N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide is CN(c1ncccc1CNc1c(C#N)cnc2[nH]ccc12)S(C)(=O)=O.
What is the InChIKey of N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is FVYZBIDFHQMXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-22(25(2,23)24)16-11(4-3-6-19-16)9-20-14-12(8-17)10-21-15-13(14)5-7-18-15/h3-7,10H,9H2,1-2H3,(H2,18,20,21).
What are the key properties of N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 356.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71277542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).