[2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone

C25H26N2O4 — CID 166791348

IUPAC[2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCc1ccc(OCc2ccccc2)c(C(O)C2CCCN2C(=O)c2ccccc2O)n1
InChIInChI=1S/C25H26N2O4/c1-17-13-14-22(31-16-18-8-3-2-4-9-18)23(26-17)24(29)20-11-7-15-27(20)25(30)19-10-5-6-12-21(19)28/h2-6,8-10,12-14,20,24,28-29H,7,11,15-16H2,1H3
InChIKeyGNPKZGXVGWRRLR-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.01
Rot. Bonds6

About [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone

[2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 166791348) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID166791348
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone
SMILESCc1ccc(OCc2ccccc2)c(C(O)C2CCCN2C(=O)c2ccccc2O)n1
InChIInChI=1S/C25H26N2O4/c1-17-13-14-22(31-16-18-8-3-2-4-9-18)23(26-17)24(29)20-11-7-15-27(20)25(30)19-10-5-6-12-21(19)28/h2-6,8-10,12-14,20,24,28-29H,7,11,15-16H2,1H3
InChIKeyGNPKZGXVGWRRLR-UHFFFAOYSA-N
XLogP4.01
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
cyclopentyl-(6-methyl-3-phenylmethoxy-2-pyridinyl)methanone
CID 161157461
(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 18635784
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 140517997
(2-hydroxyphenyl)-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 84594199
1-benzyl-3-[(2R)-2-(1-hydroxy-2,2-diphenylethyl)pyrrolidine-1-carbonyl]-5-phenylmethoxypyridazin-4-one
CID 134282094
methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 102295273
(2-azido-5-methoxy-4-phenylmethoxyphenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone
CID 102188187
[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170240
[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170199
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone (CID 166791348) is [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone is Cc1ccc(OCc2ccccc2)c(C(O)C2CCCN2C(=O)c2ccccc2O)n1.
What is the InChIKey of [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is GNPKZGXVGWRRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-13-14-22(31-16-18-8-3-2-4-9-18)23(26-17)24(29)20-11-7-15-27(20)25(30)19-10-5-6-12-21(19)28/h2-6,8-10,12-14,20,24,28-29H,7,11,15-16H2,1H3.
What are the key properties of [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone?
[2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 418.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy-(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]pyrrolidin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 166791348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).