N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide

C21H19N3O3S — CID 11111992

IUPACN-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25)
InChIKeyIXOGWBZUTOHTBT-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.57
Rot. Bonds5

About N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide

N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide (PubChem CID 11111992) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
PubChem CID11111992
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25)
InChIKeyIXOGWBZUTOHTBT-UHFFFAOYSA-N
XLogP3.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(3-methyl-1H-indol-1-yl)-N-(4-morpholinophenyl)propanamide
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N-(9-Methyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
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Frequently Asked Questions

What is the IUPAC name of N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide (CID 11111992) is N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide is CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21.
What is the InChIKey of N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is IXOGWBZUTOHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25).
What are the key properties of N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 393.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methylsulfonylcarbazol-3-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 11111992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).