(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide

C20H21ClN2O3 — CID 7277060

IUPAC(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C20H21ClN2O3/c21-15-11-12-17(24)23(13-15)18(19(25)14-7-3-1-4-8-14)20(26)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,18H,2,5-6,9-10H2,(H,22,26)/t18-/m1/s1
InChIKeyGSJHYIRVRDLMOH-GOSISDBHSA-N
MW372.85 g/mol
LogP3.37
Rot. Bonds5

About (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide

(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide (PubChem CID 7277060) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
PubChem CID7277060
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C20H21ClN2O3/c21-15-11-12-17(24)23(13-15)18(19(25)14-7-3-1-4-8-14)20(26)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,18H,2,5-6,9-10H2,(H,22,26)/t18-/m1/s1
InChIKeyGSJHYIRVRDLMOH-GOSISDBHSA-N
XLogP3.37
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide
CID 7279155
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
CID 3519572
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 7317635
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide
CID 11284070
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
(2R)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 119367660

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide?
The IUPAC name of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide (CID 7277060) is (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide is O=C(NC1CCCCC1)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O.
What is the InChIKey of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide?
The InChIKey is GSJHYIRVRDLMOH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-15-11-12-17(24)23(13-15)18(19(25)14-7-3-1-4-8-14)20(26)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,18H,2,5-6,9-10H2,(H,22,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide?
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide has a molecular weight of 372.85 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 7277060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).