(2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide

C21H27N3O4S — CID 54582448

IUPAC(2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(C)(=O)=O)cc2=O)nc1
InChIInChI=1S/C21H27N3O4S/c1-14-8-9-19(22-12-14)23-21(26)17(10-16-6-4-5-7-16)24-13-15(2)18(11-20(24)25)29(3,27)28/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,22,23,26)/t17-/m0/s1
InChIKeyDRFVPMZKAXNPMO-KRWDZBQOSA-N
MW417.53 g/mol
LogP3.02
Rot. Bonds6

About (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide

(2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54582448) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54582448
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(C)(=O)=O)cc2=O)nc1
InChIInChI=1S/C21H27N3O4S/c1-14-8-9-19(22-12-14)23-21(26)17(10-16-6-4-5-7-16)24-13-15(2)18(11-20(24)25)29(3,27)28/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,22,23,26)/t17-/m0/s1
InChIKeyDRFVPMZKAXNPMO-KRWDZBQOSA-N
XLogP3.02
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 54582448) is (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(C)c(S(C)(=O)=O)cc2=O)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is DRFVPMZKAXNPMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-8-9-19(22-12-14)23-21(26)17(10-16-6-4-5-7-16)24-13-15(2)18(11-20(24)25)29(3,27)28/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,22,23,26)/t17-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 417.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(5-methyl-4-methylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54582448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).