1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea

C12H17N3O2 — CID 111911114

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O2/c16-9-12(6-2-3-7-12)15-11(17)14-10-5-1-4-8-13-10/h1,4-5,8,16H,2-3,6-7,9H2,(H2,13,14,15,17)
InChIKeyWBKDAYPYFPDGNX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.51
Rot. Bonds3

About 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea

1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea (PubChem CID 111911114) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
PubChem CID111911114
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O2/c16-9-12(6-2-3-7-12)15-11(17)14-10-5-1-4-8-13-10/h1,4-5,8,16H,2-3,6-7,9H2,(H2,13,14,15,17)
InChIKeyWBKDAYPYFPDGNX-UHFFFAOYSA-N
XLogP1.51
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64701805
1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea
CID 110676420
3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111925888
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
1-[2-(azepan-1-yl)phenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925944
N,N'-dipyridin-2-ylbutanediamide
CID 3684644

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea (CID 111911114) is 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea?
The InChIKey is WBKDAYPYFPDGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-9-12(6-2-3-7-12)15-11(17)14-10-5-1-4-8-13-10/h1,4-5,8,16H,2-3,6-7,9H2,(H2,13,14,15,17).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea?
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea has a molecular weight of 235.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 111911114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).