1-(2-chloro-4-pyridinyl)-3-cyclobutylurea

C10H12ClN3O — CID 14625236

IUPAC1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
SMILESO=C(Nc1ccnc(Cl)c1)NC1CCC1
InChIInChI=1S/C10H12ClN3O/c11-9-6-8(4-5-12-9)14-10(15)13-7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15)
InChIKeyJYTJRODFIVDIBS-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea

1-(2-chloro-4-pyridinyl)-3-cyclobutylurea (PubChem CID 14625236) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
PubChem CID14625236
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
SMILESO=C(Nc1ccnc(Cl)c1)NC1CCC1
InChIInChI=1S/C10H12ClN3O/c11-9-6-8(4-5-12-9)14-10(15)13-7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15)
InChIKeyJYTJRODFIVDIBS-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092714
1-(2-chloro-4-pyridinyl)-3-[(1R,3S)-3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]urea
CID 139356140
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea (CID 14625236) is 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea is O=C(Nc1ccnc(Cl)c1)NC1CCC1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea?
The InChIKey is JYTJRODFIVDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-6-8(4-5-12-9)14-10(15)13-7-2-1-3-7/h4-7H,1-3H2,(H2,12,13,14,15).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea?
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea has a molecular weight of 225.68 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-cyclobutylurea is sourced from PubChem (CID 14625236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).