1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea

C11H15N3O2 — CID 111112659

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
SMILESO=C(NCC1(O)CCC1)Nc1ccncc1
InChIInChI=1S/C11H15N3O2/c15-10(13-8-11(16)4-1-5-11)14-9-2-6-12-7-3-9/h2-3,6-7,16H,1,4-5,8H2,(H2,12,13,14,15)
InChIKeySNBJPBILEOINKG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.12
Rot. Bonds3

About 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea

1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea (PubChem CID 111112659) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
PubChem CID111112659
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
SMILESO=C(NCC1(O)CCC1)Nc1ccncc1
InChIInChI=1S/C11H15N3O2/c15-10(13-8-11(16)4-1-5-11)14-9-2-6-12-7-3-9/h2-3,6-7,16H,1,4-5,8H2,(H2,12,13,14,15)
InChIKeySNBJPBILEOINKG-UHFFFAOYSA-N
XLogP1.12
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
N-[(1-hydroxycyclobutyl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111445795
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea (CID 111112659) is 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea is O=C(NCC1(O)CCC1)Nc1ccncc1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea?
The InChIKey is SNBJPBILEOINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10(13-8-11(16)4-1-5-11)14-9-2-6-12-7-3-9/h2-3,6-7,16H,1,4-5,8H2,(H2,12,13,14,15).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea?
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea has a molecular weight of 221.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 111112659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).