2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C21H24ClN3O4 — CID 91913890

IUPAC2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1Cl
InChIInChI=1S/C21H24ClN3O4/c1-24(2)21(27)16-5-4-9-23-20(16)29-15-8-10-25(13-15)19(26)12-14-6-7-18(28-3)17(22)11-14/h4-7,9,11,15H,8,10,12-13H2,1-3H3
InChIKeyURWWQCRKBPFHTC-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.67
Rot. Bonds6

About 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91913890) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91913890
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1Cl
InChIInChI=1S/C21H24ClN3O4/c1-24(2)21(27)16-5-4-9-23-20(16)29-15-8-10-25(13-15)19(26)12-14-6-7-18(28-3)17(22)11-14/h4-7,9,11,15H,8,10,12-13H2,1-3H3
InChIKeyURWWQCRKBPFHTC-UHFFFAOYSA-N
XLogP2.67
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913891
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
1-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90636962
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257488
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168352
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
2-(3,4-dimethoxyphenyl)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 100616751
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904295

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91913890) is 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is COc1ccc(CC(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1Cl.
What is the InChIKey of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is URWWQCRKBPFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-24(2)21(27)16-5-4-9-23-20(16)29-15-8-10-25(13-15)19(26)12-14-6-7-18(28-3)17(22)11-14/h4-7,9,11,15H,8,10,12-13H2,1-3H3.
What are the key properties of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 417.89 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91913890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).