(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol

C19H24N2O3 — CID 129481177

IUPAC(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2Cc2cc(OC)cc(C)n2)c1
InChIInChI=1S/C19H24N2O3/c1-13-7-18(24-3)9-15(20-13)11-21-12-16(22)10-19(21)14-5-4-6-17(8-14)23-2/h4-9,16,19,22H,10-12H2,1-3H3/t16-,19+/m0/s1
InChIKeyRZORLTQRQJODIR-QFBILLFUSA-N
MW328.41 g/mol
LogP2.72
Rot. Bonds5

About (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol

(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129481177) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129481177
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2Cc2cc(OC)cc(C)n2)c1
InChIInChI=1S/C19H24N2O3/c1-13-7-18(24-3)9-15(20-13)11-21-12-16(22)10-19(21)14-5-4-6-17(8-14)23-2/h4-9,16,19,22H,10-12H2,1-3H3/t16-,19+/m0/s1
InChIKeyRZORLTQRQJODIR-QFBILLFUSA-N
XLogP2.72
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350021
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3S,5S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737404
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964270
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736655
(3S,5S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481131
4-[[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122033957
(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139
(3S,5R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481070

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 129481177) is (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol is COc1cccc([C@H]2C[C@H](O)CN2Cc2cc(OC)cc(C)n2)c1.
What is the InChIKey of (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is RZORLTQRQJODIR-QFBILLFUSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-7-18(24-3)9-15(20-13)11-21-12-16(22)10-19(21)14-5-4-6-17(8-14)23-2/h4-9,16,19,22H,10-12H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol?
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 328.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129481177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).