3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide

C26H27N3O3 — CID 92617018

IUPAC3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
SMILESCOc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C26H27N3O3/c1-32-24-10-3-2-6-18(24)12-14-25(30)29-15-5-9-23(29)22-13-11-21(17-28-22)19-7-4-8-20(16-19)26(27)31/h2-4,6-8,10-11,13,16-17,23H,5,9,12,14-15H2,1H3,(H2,27,31)/t23-/m0/s1
InChIKeyHIPQHBKYYDOEGN-QHCPKHFHSA-N
MW429.52 g/mol
LogP4.15
Rot. Bonds7

About 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide

3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide (PubChem CID 92617018) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
PubChem CID92617018
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
SMILESCOc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C26H27N3O3/c1-32-24-10-3-2-6-18(24)12-14-25(30)29-15-5-9-23(29)22-13-11-21(17-28-22)19-7-4-8-20(16-19)26(27)31/h2-4,6-8,10-11,13,16-17,23H,5,9,12,14-15H2,1H3,(H2,27,31)/t23-/m0/s1
InChIKeyHIPQHBKYYDOEGN-QHCPKHFHSA-N
XLogP4.15
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 110263783
1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 92615778
3-[6-[(3R)-1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]-3-pyridinyl]benzamide
CID 125005203
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433
2-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850480
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 24513177
3-(2-methoxyphenyl)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110248286
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615475
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide (CID 92617018) is 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide is COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1.
What is the InChIKey of 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
The InChIKey is HIPQHBKYYDOEGN-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-32-24-10-3-2-6-18(24)12-14-25(30)29-15-5-9-23(29)22-13-11-21(17-28-22)19-7-4-8-20(16-19)26(27)31/h2-4,6-8,10-11,13,16-17,23H,5,9,12,14-15H2,1H3,(H2,27,31)/t23-/m0/s1.
What are the key properties of 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 92617018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).