(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol

C19H24N2O4 — CID 75536108

IUPAC(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol
SMILESCOc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C19H24N2O4/c1-24-14-6-4-13(5-7-14)15-9-16(22)19(23)18(15)21-11-12-3-8-17(25-2)20-10-12/h3-8,10,15-16,18-19,21-23H,9,11H2,1-2H3/t15-,16-,18-,19-/m1/s1
InChIKeyFQCYHRSNFAXDDO-PSBWJHGTSA-N
MW344.41 g/mol
LogP1.47
Rot. Bonds6

About (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol

(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol (PubChem CID 75536108) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol
PubChem CID75536108
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol
SMILESCOc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C19H24N2O4/c1-24-14-6-4-13(5-7-14)15-9-16(22)19(23)18(15)21-11-12-3-8-17(25-2)20-10-12/h3-8,10,15-16,18-19,21-23H,9,11H2,1-2H3/t15-,16-,18-,19-/m1/s1
InChIKeyFQCYHRSNFAXDDO-PSBWJHGTSA-N
XLogP1.47
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol (CID 75536108) is (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol is COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccc(OC)nc2)cc1.
What is the InChIKey of (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol?
The InChIKey is FQCYHRSNFAXDDO-PSBWJHGTSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-14-6-4-13(5-7-14)15-9-16(22)19(23)18(15)21-11-12-3-8-17(25-2)20-10-12/h3-8,10,15-16,18-19,21-23H,9,11H2,1-2H3/t15-,16-,18-,19-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol has a molecular weight of 344.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 75536108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).