1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C23H25N3O2 — CID 171085652

IUPAC1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1Cc1ccc2ccc(-c3c(C)cc(C)cc3O)nc2n1
InChIInChI=1S/C23H25N3O2/c1-14-11-15(2)22(21(28)12-14)20-9-7-17-6-8-18(24-23(17)25-20)13-19-5-4-10-26(19)16(3)27/h6-9,11-12,19,28H,4-5,10,13H2,1-3H3/t19-/m1/s1
InChIKeySSNWKMCNJBELOC-LJQANCHMSA-N
MW375.47 g/mol
LogP4.17
Rot. Bonds3

About 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 171085652) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID171085652
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1Cc1ccc2ccc(-c3c(C)cc(C)cc3O)nc2n1
InChIInChI=1S/C23H25N3O2/c1-14-11-15(2)22(21(28)12-14)20-9-7-17-6-8-18(24-23(17)25-20)13-19-5-4-10-26(19)16(3)27/h6-9,11-12,19,28H,4-5,10,13H2,1-3H3/t19-/m1/s1
InChIKeySSNWKMCNJBELOC-LJQANCHMSA-N
XLogP4.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol
CID 171085595
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
ethyl 2-[(2,5-dimethylphenyl)methyl]pyrrolidine-1-carboxylate
CID 110411236
(2-benzylpiperidin-1-yl)-[4-[6-(2,4,6-trimethylphenyl)-3-pyridinyl]triazol-1-yl]methanone
CID 158318007
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
CID 46999548
2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
CID 119316545
[2-(bromomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 80678439
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267974
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 171085652) is 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1Cc1ccc2ccc(-c3c(C)cc(C)cc3O)nc2n1.
What is the InChIKey of 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SSNWKMCNJBELOC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-11-15(2)22(21(28)12-14)20-9-7-17-6-8-18(24-23(17)25-20)13-19-5-4-10-26(19)16(3)27/h6-9,11-12,19,28H,4-5,10,13H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[7-(2-hydroxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 171085652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).