N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C22H27N3O4 — CID 46445950

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CC(C)C)C2)cc1OCc1cccnc1
InChIInChI=1S/C22H27N3O4/c1-15(2)12-25-13-17(9-21(25)26)22(27)24-18-6-7-19(28-3)20(10-18)29-14-16-5-4-8-23-11-16/h4-8,10-11,15,17H,9,12-14H2,1-3H3,(H,24,27)
InChIKeyLZKLRFRPDRAHSD-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.11
Rot. Bonds8

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46445950) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46445950
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(CC(C)C)C2)cc1OCc1cccnc1
InChIInChI=1S/C22H27N3O4/c1-15(2)12-25-13-17(9-21(25)26)22(27)24-18-6-7-19(28-3)20(10-18)29-14-16-5-4-8-23-11-16/h4-8,10-11,15,17H,9,12-14H2,1-3H3,(H,24,27)
InChIKeyLZKLRFRPDRAHSD-UHFFFAOYSA-N
XLogP3.11
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46448242
1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 60563088
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 46480295
1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43068313
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(2S)-1-acetyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 51942540
4-amino-3-methoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 120595348
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365
N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46110110

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 46445950) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(CC(C)C)C2)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LZKLRFRPDRAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(2)12-25-13-17(9-21(25)26)22(27)24-18-6-7-19(28-3)20(10-18)29-14-16-5-4-8-23-11-16/h4-8,10-11,15,17H,9,12-14H2,1-3H3,(H,24,27).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46445950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).