3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide

C22H27N3O3S — CID 10070351

IUPAC3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(=O)(=O)C3CC3)nc2)nc1
InChIInChI=1S/C22H27N3O3S/c1-15-6-10-20(23-13-15)25-22(26)19(12-16-4-2-3-5-16)17-7-11-21(24-14-17)29(27,28)18-8-9-18/h6-7,10-11,13-14,16,18-19H,2-5,8-9,12H2,1H3,(H,23,25,26)
InChIKeyOGWZQAWNFFIDBV-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.02
Rot. Bonds7

About 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide

3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 10070351) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID10070351
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(=O)(=O)C3CC3)nc2)nc1
InChIInChI=1S/C22H27N3O3S/c1-15-6-10-20(23-13-15)25-22(26)19(12-16-4-2-3-5-16)17-7-11-21(24-14-17)29(27,28)18-8-9-18/h6-7,10-11,13-14,16,18-19H,2-5,8-9,12H2,1H3,(H,23,25,26)
InChIKeyOGWZQAWNFFIDBV-UHFFFAOYSA-N
XLogP4.02
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 10070351) is 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(=O)(=O)C3CC3)nc2)nc1.
What is the InChIKey of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is OGWZQAWNFFIDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15-6-10-20(23-13-15)25-22(26)19(12-16-4-2-3-5-16)17-7-11-21(24-14-17)29(27,28)18-8-9-18/h6-7,10-11,13-14,16,18-19H,2-5,8-9,12H2,1H3,(H,23,25,26).
What are the key properties of 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 413.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-cyclopropylsulfonyl-3-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 10070351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).