1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

C21H23ClN4O3 — CID 55483902

IUPAC1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O
InChIInChI=1S/C21H23ClN4O3/c1-29-18-6-4-15(22)11-17(18)26-13-14(10-20(26)27)21(28)24-16-5-7-19(23-12-16)25-8-2-3-9-25/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,24,28)
InChIKeyQXWAHJAVCCCULO-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.34
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 55483902) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID55483902
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O
InChIInChI=1S/C21H23ClN4O3/c1-29-18-6-4-15(22)11-17(18)26-13-14(10-20(26)27)21(28)24-16-5-7-19(23-12-16)25-8-2-3-9-25/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,24,28)
InChIKeyQXWAHJAVCCCULO-UHFFFAOYSA-N
XLogP3.34
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498458
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17308597
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8702152
S-[4-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529741
1-(5-chloro-2-methoxyphenyl)-N-(4-cyclopentylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55611103
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55891901
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 42651327

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (CID 55483902) is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is QXWAHJAVCCCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-29-18-6-4-15(22)11-17(18)26-13-14(10-20(26)27)21(28)24-16-5-7-19(23-12-16)25-8-2-3-9-25/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,24,28).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55483902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).