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

C20H20ClN3O5 — CID 7279155

IUPAC(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide
SMILESO=C(NC1CCCCC1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O
InChIInChI=1S/C20H20ClN3O5/c21-14-9-10-17(25)23(12-14)18(20(27)22-15-6-2-1-3-7-15)19(26)13-5-4-8-16(11-13)24(28)29/h4-5,8-12,15,18H,1-3,6-7H2,(H,22,27)/t18-/m1/s1
InChIKeyCDWOQYBFMWFVAI-GOSISDBHSA-N
MW417.85 g/mol
LogP3.28
Rot. Bonds6

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

(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide (PubChem CID 7279155) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide
PubChem CID7279155
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC Name(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide
SMILESO=C(NC1CCCCC1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O
InChIInChI=1S/C20H20ClN3O5/c21-14-9-10-17(25)23(12-14)18(20(27)22-15-6-2-1-3-7-15)19(26)13-5-4-8-16(11-13)24(28)29/h4-5,8-12,15,18H,1-3,6-7H2,(H,22,27)/t18-/m1/s1
InChIKeyCDWOQYBFMWFVAI-GOSISDBHSA-N
XLogP3.28
TPSA111.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
CID 7277060
N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide
CID 3523746
(2S)-N-benzyl-2-(5-chloro-2-oxo-1-pyridinyl)-N-methyl-3-(3-nitrophenyl)-3-oxopropanamide
CID 41201131
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3920071
1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
CID 3160489
N-(4-chlorophenyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-nitrobenzamide
CID 154709281
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
(cyclohexylamino) 3-nitrobenzoate
CID 87667108
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3-nitrobenzamide
CID 53488341
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)-3-(3-nitrophenyl)propanamide
CID 23789936
1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
CID 51361843
N-cyclohexyl-2-(3-nitrophenyl)pyrimidine-5-carboxamide
CID 5035480

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide?
The IUPAC name of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide (CID 7279155) is (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide is O=C(NC1CCCCC1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O.
What is the InChIKey of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide?
The InChIKey is CDWOQYBFMWFVAI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c21-14-9-10-17(25)23(12-14)18(20(27)22-15-6-2-1-3-7-15)19(26)13-5-4-8-16(11-13)24(28)29/h4-5,8-12,15,18H,1-3,6-7H2,(H,22,27)/t18-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide?
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide has a molecular weight of 417.85 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide is sourced from PubChem (CID 7279155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).