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

C20H25N3O4S — CID 54581442

IUPAC(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(C)(=O)=O)cc2=O)nc1
InChIInChI=1S/C20H25N3O4S/c1-14-7-8-18(21-13-14)22-20(25)17(11-15-5-3-4-6-15)23-10-9-16(12-19(23)24)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,21,22,25)/t17-/m0/s1
InChIKeyMXWLHPNPPVYETR-KRWDZBQOSA-N
MW403.50 g/mol
LogP2.72
Rot. Bonds6

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

(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 54581442) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide
PubChem CID54581442
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(C)(=O)=O)cc2=O)nc1
InChIInChI=1S/C20H25N3O4S/c1-14-7-8-18(21-13-14)22-20(25)17(11-15-5-3-4-6-15)23-10-9-16(12-19(23)24)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,21,22,25)/t17-/m0/s1
InChIKeyMXWLHPNPPVYETR-KRWDZBQOSA-N
XLogP2.72
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide (CID 54581442) is (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(C)(=O)=O)cc2=O)nc1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is MXWLHPNPPVYETR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-7-8-18(21-13-14)22-20(25)17(11-15-5-3-4-6-15)23-10-9-16(12-19(23)24)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,21,22,25)/t17-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide?
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 403.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-(4-methylsulfonyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 54581442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).