2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate

C20H23ClN4O6 — CID 146442164

IUPAC2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO
InChIInChI=1S/C20H23ClN4O6/c1-22-20(30)31-11-8-23-18(28)16-7-6-15(19(29)25(16)9-10-26)17(27)24-12-13-2-4-14(21)5-3-13/h2-7,26H,8-12H2,1H3,(H,22,30)(H,23,28)(H,24,27)
InChIKeyXHFBMSSQSKIYIO-UHFFFAOYSA-N
MW450.88 g/mol
LogP0.51
Rot. Bonds9

About 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate

2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate (PubChem CID 146442164) has the molecular formula C20H23ClN4O6 and a molecular weight of 450.88 g/mol. Its IUPAC name is 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate
PubChem CID146442164
Molecular FormulaC20H23ClN4O6
Molecular Weight450.88 g/mol
Exact Mass450.13
IUPAC Name2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO
InChIInChI=1S/C20H23ClN4O6/c1-22-20(30)31-11-8-23-18(28)16-7-6-15(19(29)25(16)9-10-26)17(27)24-12-13-2-4-14(21)5-3-13/h2-7,26H,8-12H2,1H3,(H,22,30)(H,23,28)(H,24,27)
InChIKeyXHFBMSSQSKIYIO-UHFFFAOYSA-N
XLogP0.51
TPSA138.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate with MolForge

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Related Compounds

Ethyl 4-(2-{[(4-chlorophenyl)methyl]amino}-3,4-dioxocyclobut-1-EN-1-YL)piperazine-1-carboxylate
CID 9550909
N-(2-chlorobenzyl)-2-hydroxy-N-(2-methoxyethyl)-4,6-dimethylnicotinamide
CID 70736567
Ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
CID 127028090
ethyl 4-(2-(4-(4-chlorobenzyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)acetamido)piperidine-1-carboxylate
CID 71802600
2-[3-[(4-chlorophenyl)methylcarbamoyl]-8-ethyl-2-oxo-5-[3-(trifluoromethyl)piperazin-1-yl]-9H-cyclohepta[b]pyridin-1-yl]acetic acid
CID 123999583
US12466821, Example 116
CID 146441844
US12466821, Example 89-1
CID 146441908
US12466821, Example 113
CID 146441958
US12466821, Example 114
CID 146442059
US12466821, Example 172
CID 146442146
US12466821, Example 61-1
CID 147340352
US12466821, Example 171
CID 148155237

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate (CID 146442164) is 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate is CNC(=O)OCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO.
What is the InChIKey of 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate?
The InChIKey is XHFBMSSQSKIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O6/c1-22-20(30)31-11-8-23-18(28)16-7-6-15(19(29)25(16)9-10-26)17(27)24-12-13-2-4-14(21)5-3-13/h2-7,26H,8-12H2,1H3,(H,22,30)(H,23,28)(H,24,27).
What are the key properties of 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate?
2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate has a molecular weight of 450.88 g/mol, XLogP of 0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 146442164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).