N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide

C20H22N2O6 — CID 162965790

IUPACN-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(OCC2CC(NC(=O)c3ccc4c(c3)OCO4)C(O)C2O)n1
InChIInChI=1S/C20H22N2O6/c1-11-3-2-4-17(21-11)26-9-13-7-14(19(24)18(13)23)22-20(25)12-5-6-15-16(8-12)28-10-27-15/h2-6,8,13-14,18-19,23-24H,7,9-10H2,1H3,(H,22,25)
InChIKeyGINNRGKNPIHGMG-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.04
Rot. Bonds5

About N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide

N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 162965790) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide
PubChem CID162965790
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(OCC2CC(NC(=O)c3ccc4c(c3)OCO4)C(O)C2O)n1
InChIInChI=1S/C20H22N2O6/c1-11-3-2-4-17(21-11)26-9-13-7-14(19(24)18(13)23)22-20(25)12-5-6-15-16(8-12)28-10-27-15/h2-6,8,13-14,18-19,23-24H,7,9-10H2,1H3,(H,22,25)
InChIKeyGINNRGKNPIHGMG-UHFFFAOYSA-N
XLogP1.04
TPSA110.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
CID 162819665
N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 146117747
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269
1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68885000
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555
N-[(1R,2R)-2-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014592
N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42111726
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 110202522
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110660300
N-(2-thiophen-2-ylcyclopropyl)-1,3-benzodioxole-5-carboxamide
CID 110741734

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide (CID 162965790) is N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide is Cc1cccc(OCC2CC(NC(=O)c3ccc4c(c3)OCO4)C(O)C2O)n1.
What is the InChIKey of N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GINNRGKNPIHGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-11-3-2-4-17(21-11)26-9-13-7-14(19(24)18(13)23)22-20(25)12-5-6-15-16(8-12)28-10-27-15/h2-6,8,13-14,18-19,23-24H,7,9-10H2,1H3,(H,22,25).
What are the key properties of N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide?
N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 162965790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).