3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide

C20H23N3O3 — CID 99993065

IUPAC3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccccn2)c1
InChIInChI=1S/C20H23N3O3/c1-26-16-7-4-6-15(14-16)20(25)22-12-10-19(24)23-13-5-9-18(23)17-8-2-3-11-21-17/h2-4,6-8,11,14,18H,5,9-10,12-13H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyPDJRVZFPJWEMME-GOSISDBHSA-N
MW353.42 g/mol
LogP2.57
Rot. Bonds6

About 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide

3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide (PubChem CID 99993065) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
PubChem CID99993065
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccccn2)c1
InChIInChI=1S/C20H23N3O3/c1-26-16-7-4-6-15(14-16)20(25)22-12-10-19(24)23-13-5-9-18(23)17-8-2-3-11-21-17/h2-4,6-8,11,14,18H,5,9-10,12-13H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyPDJRVZFPJWEMME-GOSISDBHSA-N
XLogP2.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 135111285
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-3-methylbenzamide
CID 43016179
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
1-[3-[[3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 45200993
3,5-dimethoxy-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264676
3,5-dimethoxy-N-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264677

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide (CID 99993065) is 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide is COc1cccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide?
The InChIKey is PDJRVZFPJWEMME-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-16-7-4-6-15(14-16)20(25)22-12-10-19(24)23-13-5-9-18(23)17-8-2-3-11-21-17/h2-4,6-8,11,14,18H,5,9-10,12-13H2,1H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide?
3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-oxo-3-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propyl]benzamide is sourced from PubChem (CID 99993065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).