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

C21H27N3O4S — CID 54584389

IUPAC(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
InChIInChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1
InChIKeyFUBDZUFNVMAUNX-SFHVURJKSA-N
MW417.53 g/mol
LogP3.11
Rot. Bonds7

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

(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 54584389) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID54584389
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1
InChIInChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1
InChIKeyFUBDZUFNVMAUNX-SFHVURJKSA-N
XLogP3.11
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-N-pyridin-2-yl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 60210915
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18107076
N-{2-methyl-1-[(pyridin-2-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3239768
N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44379904
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 54580432
(S)-3-cyclopentyl-2-(4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)propanamide
CID 54581443
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
CID 4058680
(2S)-N-[(2S)-1-[(2S)-2-(benzenesulfonamidomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73777109
N~2~-[(4-methylcyclohexyl)carbonyl]-N-pyridin-2-ylleucinamide
CID 3242302
2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44281580
(S)-2-(4-(cyclobutylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580433
(S)-2-(5-chloro-4-(isopropylsulfonyl)-2-oxopyridin-1(2H)-yl)-3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
CID 54580434

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 54584389) is (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is CCS(=O)(=O)c1ccn([C@@H](CC2CCCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is FUBDZUFNVMAUNX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-29(27,28)17-10-11-24(20(25)13-17)18(12-16-6-4-5-7-16)21(26)23-19-9-8-15(2)14-22-19/h8-11,13-14,16,18H,3-7,12H2,1-2H3,(H,22,23,26)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 417.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(4-ethylsulfonyl-2-oxo-1-pyridinyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 54584389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).