N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine

C19H22N4O2S — CID 136527600

IUPACN-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-14-4-2-5-16(12-14)22-15-7-10-23(11-8-15)26(24,25)18-13-21-19-17(18)6-3-9-20-19/h2-6,9,12-13,15,22H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyCFACUUVHCGEKNE-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.14
Rot. Bonds4

About N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine

N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (PubChem CID 136527600) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
PubChem CID136527600
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-14-4-2-5-16(12-14)22-15-7-10-23(11-8-15)26(24,25)18-13-21-19-17(18)6-3-9-20-19/h2-6,9,12-13,15,22H,7-8,10-11H2,1H3,(H,20,21)
InChIKeyCFACUUVHCGEKNE-UHFFFAOYSA-N
XLogP3.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The IUPAC name of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine (CID 136527600) is N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is Cc1cccc(NC2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
The InChIKey is CFACUUVHCGEKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-4-2-5-16(12-14)22-15-7-10-23(11-8-15)26(24,25)18-13-21-19-17(18)6-3-9-20-19/h2-6,9,12-13,15,22H,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine?
N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine has a molecular weight of 370.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 136527600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).