4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one

C21H29N3O2 — CID 135322991

IUPAC4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
SMILESCc1ccc(C(C)(C)N2CCC(CO)(CCc3cc[nH]c(=O)c3)C2)cn1
InChIInChI=1S/C21H29N3O2/c1-16-4-5-18(13-23-16)20(2,3)24-11-9-21(14-24,15-25)8-6-17-7-10-22-19(26)12-17/h4-5,7,10,12-13,25H,6,8-9,11,14-15H2,1-3H3,(H,22,26)
InChIKeyNAUOBFGRLOTAGO-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one

4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one (PubChem CID 135322991) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
PubChem CID135322991
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
SMILESCc1ccc(C(C)(C)N2CCC(CO)(CCc3cc[nH]c(=O)c3)C2)cn1
InChIInChI=1S/C21H29N3O2/c1-16-4-5-18(13-23-16)20(2,3)24-11-9-21(14-24,15-25)8-6-17-7-10-22-19(26)12-17/h4-5,7,10,12-13,25H,6,8-9,11,14-15H2,1-3H3,(H,22,26)
InChIKeyNAUOBFGRLOTAGO-UHFFFAOYSA-N
XLogP2.63
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
CID 166506556
5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322558
5-[2-[(3S)-3-(methoxymethyl)-3-[2-(5-methylthiophen-3-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166506655
[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide
CID 162430353
4-[2-[(3R)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-3-yl]ethyl]benzonitrile
CID 172512404
1-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-methylurea
CID 166506621
2-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 166506707
5-[2-[(3R)-3-(difluoromethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 175820731
5-[2-[3-[2-(4-chlorothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430520
2-methyl-5-[2-[(3R)-3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
CID 175820841
5-[2-[3-[(dimethylsulfamoylamino)methyl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430398
5-[2-[3-(ethoxymethyl)-3-[2-(4-isocyanothiophen-3-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166571768

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one (CID 135322991) is 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one is Cc1ccc(C(C)(C)N2CCC(CO)(CCc3cc[nH]c(=O)c3)C2)cn1.
What is the InChIKey of 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one?
The InChIKey is NAUOBFGRLOTAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-4-5-18(13-23-16)20(2,3)24-11-9-21(14-24,15-25)8-6-17-7-10-22-19(26)12-17/h4-5,7,10,12-13,25H,6,8-9,11,14-15H2,1-3H3,(H,22,26).
What are the key properties of 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one?
4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(hydroxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 135322991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).