methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate

C19H18ClN3O4 — CID 55811455

IUPACmethyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)c1
InChIInChI=1S/C19H18ClN3O4/c1-27-19(26)12-5-6-15(20)16(8-12)22-18(25)13-9-17(24)23(10-13)11-14-4-2-3-7-21-14/h2-8,13H,9-11H2,1H3,(H,22,25)
InChIKeyIDHDGVWIJUEUOT-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.51
Rot. Bonds5

About methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate

methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 55811455) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
PubChem CID55811455
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Namemethyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)c1
InChIInChI=1S/C19H18ClN3O4/c1-27-19(26)12-5-6-15(20)16(8-12)22-18(25)13-9-17(24)23(10-13)11-14-4-2-3-7-21-14/h2-8,13H,9-11H2,1H3,(H,22,25)
InChIKeyIDHDGVWIJUEUOT-UHFFFAOYSA-N
XLogP2.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 51940737
methyl 3-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 51940747
N-(2,4-dichlorophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 75808688
N-(3-methoxy-2-methyl-4-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 157020157
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55873682
N-(5-chloro-2-phenoxyphenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60529604
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060
(3R)-N-[(2R)-1-methoxypropan-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 95129903
N-[4-(diethylamino)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183968
N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55811564
(3R)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825226

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate (CID 55811455) is methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)c1.
What is the InChIKey of methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is IDHDGVWIJUEUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-27-19(26)12-5-6-15(20)16(8-12)22-18(25)13-9-17(24)23(10-13)11-14-4-2-3-7-21-14/h2-8,13H,9-11H2,1H3,(H,22,25).
What are the key properties of methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 387.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 55811455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).