N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide

C21H26N2O5 — CID 163027473

IUPACN-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(COc3cccc(C)n3)CC(O)C(O)C2)c1
InChIInChI=1S/C21H26N2O5/c1-14-5-3-8-19(23-14)28-13-21(10-17(24)18(25)11-21)12-22-20(26)15-6-4-7-16(9-15)27-2/h3-9,17-18,24-25H,10-13H2,1-2H3,(H,22,26)
InChIKeyMYARVNCIGBTXBW-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.71
Rot. Bonds7

About N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide

N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide (PubChem CID 163027473) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide
PubChem CID163027473
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(COc3cccc(C)n3)CC(O)C(O)C2)c1
InChIInChI=1S/C21H26N2O5/c1-14-5-3-8-19(23-14)28-13-21(10-17(24)18(25)11-21)12-22-20(26)15-6-4-7-16(9-15)27-2/h3-9,17-18,24-25H,10-13H2,1-2H3,(H,22,26)
InChIKeyMYARVNCIGBTXBW-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
CID 75367949
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
CID 75367843
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545609
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide (CID 163027473) is N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2(COc3cccc(C)n3)CC(O)C(O)C2)c1.
What is the InChIKey of N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide?
The InChIKey is MYARVNCIGBTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-5-3-8-19(23-14)28-13-21(10-17(24)18(25)11-21)12-22-20(26)15-6-4-7-16(9-15)27-2/h3-9,17-18,24-25H,10-13H2,1-2H3,(H,22,26).
What are the key properties of N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide?
N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 163027473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).