2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C22H27N3O4 — CID 91913891

IUPAC2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCC(Oc2ncccc2C(=O)N(C)C)C1
InChIInChI=1S/C22H27N3O4/c1-24(2)22(27)18-8-6-13-23-21(18)29-17-12-14-25(15-17)20(26)11-10-16-7-4-5-9-19(16)28-3/h4-9,13,17H,10-12,14-15H2,1-3H3
InChIKeyKMEJALHESYEAOD-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.40
Rot. Bonds7

About 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91913891) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91913891
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCC(Oc2ncccc2C(=O)N(C)C)C1
InChIInChI=1S/C22H27N3O4/c1-24(2)22(27)18-8-6-13-23-21(18)29-17-12-14-25(15-17)20(26)11-10-16-7-4-5-9-19(16)28-3/h4-9,13,17H,10-12,14-15H2,1-3H3
InChIKeyKMEJALHESYEAOD-UHFFFAOYSA-N
XLogP2.40
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913890
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904295
3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
CID 91904306
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 119635537
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91913891) is 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is COc1ccccc1CCC(=O)N1CCC(Oc2ncccc2C(=O)N(C)C)C1.
What is the InChIKey of 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KMEJALHESYEAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-24(2)22(27)18-8-6-13-23-21(18)29-17-12-14-25(15-17)20(26)11-10-16-7-4-5-9-19(16)28-3/h4-9,13,17H,10-12,14-15H2,1-3H3.
What are the key properties of 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91913891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).