1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea

C15H22ClN3O2 — CID 111618243

IUPAC1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCc1cc(C)c(NC(=O)NCC2(O)CCCCC2)c(Cl)n1
InChIInChI=1S/C15H22ClN3O2/c1-10-8-11(2)18-13(16)12(10)19-14(20)17-9-15(21)6-4-3-5-7-15/h8,21H,3-7,9H2,1-2H3,(H2,17,19,20)
InChIKeyJNMGTPYWBSYIIW-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.17
Rot. Bonds3

About 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea

1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 111618243) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID111618243
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCc1cc(C)c(NC(=O)NCC2(O)CCCCC2)c(Cl)n1
InChIInChI=1S/C15H22ClN3O2/c1-10-8-11(2)18-13(16)12(10)19-14(20)17-9-15(21)6-4-3-5-7-15/h8,21H,3-7,9H2,1-2H3,(H2,17,19,20)
InChIKeyJNMGTPYWBSYIIW-UHFFFAOYSA-N
XLogP3.17
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]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-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618253
1-butyl-3-(2-chloro-4,6-dimethyl-3-pyridinyl)urea
CID 593495
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926716
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103612
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111507929
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea (CID 111618243) is 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea is Cc1cc(C)c(NC(=O)NCC2(O)CCCCC2)c(Cl)n1.
What is the InChIKey of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is JNMGTPYWBSYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-8-11(2)18-13(16)12(10)19-14(20)17-9-15(21)6-4-3-5-7-15/h8,21H,3-7,9H2,1-2H3,(H2,17,19,20).
What are the key properties of 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 311.81 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111618243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).