N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H24ClN3O5 — CID 55804428

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)CC2=O)cc1OC
InChIInChI=1S/C25H24ClN3O5/c1-33-21-9-8-19(12-22(21)34-2)29-14-17(11-24(29)31)25(32)27-18-7-10-23(30)28(15-18)13-16-5-3-4-6-20(16)26/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,27,32)
InChIKeyWYPQBOPPOYAAAD-UHFFFAOYSA-N
MW481.94 g/mol
LogP3.56
Rot. Bonds7

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55804428) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55804428
Molecular FormulaC25H24ClN3O5
Molecular Weight481.94 g/mol
Exact Mass481.14
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)CC2=O)cc1OC
InChIInChI=1S/C25H24ClN3O5/c1-33-21-9-8-19(12-22(21)34-2)29-14-17(11-24(29)31)25(32)27-18-7-10-23(30)28(15-18)13-16-5-3-4-6-20(16)26/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,27,32)
InChIKeyWYPQBOPPOYAAAD-UHFFFAOYSA-N
XLogP3.56
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55956574
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791219
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916
(3S)-1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933943
1-(3,4-dimethoxyphenyl)-5-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 46578301
methyl 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42949120
(3S)-1-(3-chloro-4-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42581384
1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187995
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46478090

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55804428) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)CC2=O)cc1OC.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WYPQBOPPOYAAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-33-21-9-8-19(12-22(21)34-2)29-14-17(11-24(29)31)25(32)27-18-7-10-23(30)28(15-18)13-16-5-3-4-6-20(16)26/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,27,32).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55804428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).