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

C18H22N4O4 — CID 162819665

IUPAC1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
SMILESCc1cccc(OCC2CC(NC(=O)Nc3cccnc3)C(O)C2O)n1
InChIInChI=1S/C18H22N4O4/c1-11-4-2-6-15(20-11)26-10-12-8-14(17(24)16(12)23)22-18(25)21-13-5-3-7-19-9-13/h2-7,9,12,14,16-17,23-24H,8,10H2,1H3,(H2,21,22,25)
InChIKeyWNGLBXOMJHSKRS-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.10
Rot. Bonds5

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

1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea (PubChem CID 162819665) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
PubChem CID162819665
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
SMILESCc1cccc(OCC2CC(NC(=O)Nc3cccnc3)C(O)C2O)n1
InChIInChI=1S/C18H22N4O4/c1-11-4-2-6-15(20-11)26-10-12-8-14(17(24)16(12)23)22-18(25)21-13-5-3-7-19-9-13/h2-7,9,12,14,16-17,23-24H,8,10H2,1H3,(H2,21,22,25)
InChIKeyWNGLBXOMJHSKRS-UHFFFAOYSA-N
XLogP1.10
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
CID 75529486
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 75529512
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 167894017
[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
CID 59671285
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 75529533
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea (CID 162819665) is 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea is Cc1cccc(OCC2CC(NC(=O)Nc3cccnc3)C(O)C2O)n1.
What is the InChIKey of 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea?
The InChIKey is WNGLBXOMJHSKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-4-2-6-15(20-11)26-10-12-8-14(17(24)16(12)23)22-18(25)21-13-5-3-7-19-9-13/h2-7,9,12,14,16-17,23-24H,8,10H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea?
1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea has a molecular weight of 358.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 162819665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).