1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C19H20ClN3O4 — CID 113191430

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3ccccn3)CC2=O)c(OC)cc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-26-16-9-15(17(27-2)8-14(16)20)23-11-12(7-18(23)24)19(25)22-10-13-5-3-4-6-21-13/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,22,25)
InChIKeyPZEXAEJPMRINGU-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.42
Rot. Bonds6

About 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113191430) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113191430
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3ccccn3)CC2=O)c(OC)cc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-26-16-9-15(17(27-2)8-14(16)20)23-11-12(7-18(23)24)19(25)22-10-13-5-3-4-6-21-13/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,22,25)
InChIKeyPZEXAEJPMRINGU-UHFFFAOYSA-N
XLogP2.42
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113186549
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110109
(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-phenylsulfanylethyl)pyrrolidine-3-carboxamide
CID 26820068
1-(2-morpholin-4-ylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113189989
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
(3S)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 25348516
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 56558466

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113191430) is 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NCc3ccccn3)CC2=O)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is PZEXAEJPMRINGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-26-16-9-15(17(27-2)8-14(16)20)23-11-12(7-18(23)24)19(25)22-10-13-5-3-4-6-21-13/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,22,25).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113191430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).