2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide

C21H25N3O3 — CID 91904300

IUPAC2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1OC1CCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C21H25N3O3/c1-4-22-19(25)18-6-5-8-23-20(18)27-17-7-9-24(13-17)21(26)16-11-14(2)10-15(3)12-16/h5-6,8,10-12,17H,4,7,9,13H2,1-3H3,(H,22,25)
InChIKeyYZKOSZUJPONRKY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide

2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide (PubChem CID 91904300) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
PubChem CID91904300
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1OC1CCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C21H25N3O3/c1-4-22-19(25)18-6-5-8-23-20(18)27-17-7-9-24(13-17)21(26)16-11-14(2)10-15(3)12-16/h5-6,8,10-12,17H,4,7,9,13H2,1-3H3,(H,22,25)
InChIKeyYZKOSZUJPONRKY-UHFFFAOYSA-N
XLogP2.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[1-(2-methylbenzoyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91914015
2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
CID 91914006
(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55790751
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 129355268
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
3-[(3R)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755756
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide (CID 91904300) is 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cccnc1OC1CCN(C(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
The InChIKey is YZKOSZUJPONRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-22-19(25)18-6-5-8-23-20(18)27-17-7-9-24(13-17)21(26)16-11-14(2)10-15(3)12-16/h5-6,8,10-12,17H,4,7,9,13H2,1-3H3,(H,22,25).
What are the key properties of 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 91904300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).