ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate

C23H26ClN3O6 — CID 146442037

IUPACethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CCO)CC1
InChIInChI=1S/C23H26ClN3O6/c1-2-33-22(32)23(9-10-23)14-26-20(30)18-8-7-17(21(31)27(18)11-12-28)19(29)25-13-15-3-5-16(24)6-4-15/h3-8,28H,2,9-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyBCIVRUIRKSRQGX-UHFFFAOYSA-N
MW475.93 g/mol
LogP1.50
Rot. Bonds10

About ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate

ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate (PubChem CID 146442037) has the molecular formula C23H26ClN3O6 and a molecular weight of 475.93 g/mol. Its IUPAC name is ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
PubChem CID146442037
Molecular FormulaC23H26ClN3O6
Molecular Weight475.93 g/mol
Exact Mass475.15
IUPAC Nameethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CCO)CC1
InChIInChI=1S/C23H26ClN3O6/c1-2-33-22(32)23(9-10-23)14-26-20(30)18-8-7-17(21(31)27(18)11-12-28)19(29)25-13-15-3-5-16(24)6-4-15/h3-8,28H,2,9-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyBCIVRUIRKSRQGX-UHFFFAOYSA-N
XLogP1.50
TPSA126.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 175177057
tert-butyl N-[2-[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]ethyl]carbamate
CID 151599876
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
ethyl 1-(benzylcarbamoyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 26409521
ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 59555492
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 20583289
tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate
CID 118135944
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
methyl 1-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184435

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate (CID 146442037) is ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(CNC(=O)c2ccc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2CCO)CC1.
What is the InChIKey of ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is BCIVRUIRKSRQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O6/c1-2-33-22(32)23(9-10-23)14-26-20(30)18-8-7-17(21(31)27(18)11-12-28)19(29)25-13-15-3-5-16(24)6-4-15/h3-8,28H,2,9-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate?
ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 475.93 g/mol, XLogP of 1.50, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 146442037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).