4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C14H19N5O3S — CID 67278426

IUPAC4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](Nc2c(C(N)=O)cnc3[nH]ccc23)C1
InChIInChI=1S/C14H19N5O3S/c1-23(21,22)19-6-2-3-9(8-19)18-12-10-4-5-16-14(10)17-7-11(12)13(15)20/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,20)(H2,16,17,18)/t9-/m1/s1
InChIKeyASNTVJUUZTWQFL-SECBINFHSA-N
MW337.41 g/mol
LogP0.50
Rot. Bonds4

About 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67278426) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67278426
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](Nc2c(C(N)=O)cnc3[nH]ccc23)C1
InChIInChI=1S/C14H19N5O3S/c1-23(21,22)19-6-2-3-9(8-19)18-12-10-4-5-16-14(10)17-7-11(12)13(15)20/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,20)(H2,16,17,18)/t9-/m1/s1
InChIKeyASNTVJUUZTWQFL-SECBINFHSA-N
XLogP0.50
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67278426) is 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CS(=O)(=O)N1CCC[C@@H](Nc2c(C(N)=O)cnc3[nH]ccc23)C1.
What is the InChIKey of 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is ASNTVJUUZTWQFL-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-23(21,22)19-6-2-3-9(8-19)18-12-10-4-5-16-14(10)17-7-11(12)13(15)20/h4-5,7,9H,2-3,6,8H2,1H3,(H2,15,20)(H2,16,17,18)/t9-/m1/s1.
What are the key properties of 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67278426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).