N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide

C21H26N2O5 — CID 75529512

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C21H26N2O5/c1-13-5-3-8-19(22-13)28-12-15-11-17(21(26)20(15)25)23-18(24)10-14-6-4-7-16(9-14)27-2/h3-9,15,17,20-21,25-26H,10-12H2,1-2H3,(H,23,24)/t15-,17-,20-,21+/m1/s1
InChIKeyAXEJYRSPZNFEGI-JKMAKKBCSA-N
MW386.45 g/mol
LogP1.25
Rot. Bonds7

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 75529512) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
PubChem CID75529512
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C21H26N2O5/c1-13-5-3-8-19(22-13)28-12-15-11-17(21(26)20(15)25)23-18(24)10-14-6-4-7-16(9-14)27-2/h3-9,15,17,20-21,25-26H,10-12H2,1-2H3,(H,23,24)/t15-,17-,20-,21+/m1/s1
InChIKeyAXEJYRSPZNFEGI-JKMAKKBCSA-N
XLogP1.25
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea
CID 162916825
1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
CID 162819665
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
2-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-(3-methoxyphenyl)acetamide
CID 79698743
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide
CID 110157628
(1S,3R,4R)-3-hydroxy-4-[[2-(3-methoxyphenyl)acetyl]amino]-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 156585035

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide (CID 75529512) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N[C@@H]2C[C@H](COc3cccc(C)n3)[C@@H](O)[C@H]2O)c1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is AXEJYRSPZNFEGI-JKMAKKBCSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13-5-3-8-19(22-13)28-12-15-11-17(21(26)20(15)25)23-18(24)10-14-6-4-7-16(9-14)27-2/h3-9,15,17,20-21,25-26H,10-12H2,1-2H3,(H,23,24)/t15-,17-,20-,21+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 75529512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).