1-cyclobutyl-3-pyridin-3-ylurea

C10H13N3O — CID 115617592

IUPAC1-cyclobutyl-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC1CCC1
InChIInChI=1S/C10H13N3O/c14-10(12-8-3-1-4-8)13-9-5-2-6-11-7-9/h2,5-8H,1,3-4H2,(H2,12,13,14)
InChIKeyZPKPVXCTZLFKGM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.76
Rot. Bonds2

About 1-cyclobutyl-3-pyridin-3-ylurea

1-cyclobutyl-3-pyridin-3-ylurea (PubChem CID 115617592) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-pyridin-3-ylurea
PubChem CID115617592
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-cyclobutyl-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC1CCC1
InChIInChI=1S/C10H13N3O/c14-10(12-8-3-1-4-8)13-9-5-2-6-11-7-9/h2,5-8H,1,3-4H2,(H2,12,13,14)
InChIKeyZPKPVXCTZLFKGM-UHFFFAOYSA-N
XLogP1.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950692
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea
CID 146690874
1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762881
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-pyridin-3-ylurea?
The IUPAC name of 1-cyclobutyl-3-pyridin-3-ylurea (CID 115617592) is 1-cyclobutyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-cyclobutyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-cyclobutyl-3-pyridin-3-ylurea is O=C(Nc1cccnc1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-pyridin-3-ylurea?
The InChIKey is ZPKPVXCTZLFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(12-8-3-1-4-8)13-9-5-2-6-11-7-9/h2,5-8H,1,3-4H2,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-pyridin-3-ylurea?
1-cyclobutyl-3-pyridin-3-ylurea has a molecular weight of 191.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-pyridin-3-ylurea is sourced from PubChem (CID 115617592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).