1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea

C13H18ClN3O — CID 108902883

IUPAC1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)Nc1cccnc1Cl
InChIInChI=1S/C13H18ClN3O/c14-12-11(7-4-8-15-12)17-13(18)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18)
InChIKeyOCPKSRLWSOFYPV-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea

1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea (PubChem CID 108902883) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
PubChem CID108902883
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)Nc1cccnc1Cl
InChIInChI=1S/C13H18ClN3O/c14-12-11(7-4-8-15-12)17-13(18)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18)
InChIKeyOCPKSRLWSOFYPV-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
2-chloro-N-(cyclopropylmethyl)pyridin-3-amine
CID 43690086
1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 108902549
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea (CID 108902883) is 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)Nc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea?
The InChIKey is OCPKSRLWSOFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-12-11(7-4-8-15-12)17-13(18)16-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea?
1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea has a molecular weight of 267.76 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 108902883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).