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

C18H27N3O4 — CID 162916825

IUPAC1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea
SMILESCc1cccc(OCC2CC(NC(=O)NC3CCCC3)C(O)C2O)n1
InChIInChI=1S/C18H27N3O4/c1-11-5-4-8-15(19-11)25-10-12-9-14(17(23)16(12)22)21-18(24)20-13-6-2-3-7-13/h4-5,8,12-14,16-17,22-23H,2-3,6-7,9-10H2,1H3,(H2,20,21,24)
InChIKeyZPXHINBUOPDRGE-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.12
Rot. Bonds5

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

1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea (PubChem CID 162916825) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea
PubChem CID162916825
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea
SMILESCc1cccc(OCC2CC(NC(=O)NC3CCCC3)C(O)C2O)n1
InChIInChI=1S/C18H27N3O4/c1-11-5-4-8-15(19-11)25-10-12-9-14(17(23)16(12)22)21-18(24)20-13-6-2-3-7-13/h4-5,8,12-14,16-17,22-23H,2-3,6-7,9-10H2,1H3,(H2,20,21,24)
InChIKeyZPXHINBUOPDRGE-UHFFFAOYSA-N
XLogP1.12
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 75529512
4-cyano-N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]benzamide
CID 75529508
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 163102723
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
(3S,3aS,9bR)-N-cyclopropyl-8-fluoro-3-[(6-methyl-2-pyridinyl)oxymethyl]-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole-1-carboxamide
CID 146120809
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
2-[(6-methyl-2-pyridinyl)oxy]acetamide
CID 22228306
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898
1-cyclohexyl-3-[1-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]piperidin-4-yl]urea
CID 75396921
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea (CID 162916825) is 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea is Cc1cccc(OCC2CC(NC(=O)NC3CCCC3)C(O)C2O)n1.
What is the InChIKey of 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea?
The InChIKey is ZPXHINBUOPDRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11-5-4-8-15(19-11)25-10-12-9-14(17(23)16(12)22)21-18(24)20-13-6-2-3-7-13/h4-5,8,12-14,16-17,22-23H,2-3,6-7,9-10H2,1H3,(H2,20,21,24).
What are the key properties of 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea?
1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea has a molecular weight of 349.43 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]urea is sourced from PubChem (CID 162916825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).