1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea

C15H20ClN3O — CID 146092371

IUPAC1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea
SMILESCc1cc(Cl)ncc1NC(=O)NC1(C2CCC2)CCC1
InChIInChI=1S/C15H20ClN3O/c1-10-8-13(16)17-9-12(10)18-14(20)19-15(6-3-7-15)11-4-2-5-11/h8-9,11H,2-7H2,1H3,(H2,18,19,20)
InChIKeyZQPGWIPYIHWSCK-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.89
Rot. Bonds3

About 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea

1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea (PubChem CID 146092371) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea.

Molecular Properties

Compound Name1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea
PubChem CID146092371
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea
SMILESCc1cc(Cl)ncc1NC(=O)NC1(C2CCC2)CCC1
InChIInChI=1S/C15H20ClN3O/c1-10-8-13(16)17-9-12(10)18-14(20)19-15(6-3-7-15)11-4-2-5-11/h8-9,11H,2-7H2,1H3,(H2,18,19,20)
InChIKeyZQPGWIPYIHWSCK-UHFFFAOYSA-N
XLogP3.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.89
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

N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 113264161
(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
CID 112735488
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
CID 114256408
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
methyl (2R)-1-[2-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 138050770
N-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 130497741
N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 113266715
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113262958
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea?
The IUPAC name of 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea (CID 146092371) is 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea.
What is the SMILES notation for 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea?
The canonical SMILES for 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea is Cc1cc(Cl)ncc1NC(=O)NC1(C2CCC2)CCC1.
What is the InChIKey of 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea?
The InChIKey is ZQPGWIPYIHWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10-8-13(16)17-9-12(10)18-14(20)19-15(6-3-7-15)11-4-2-5-11/h8-9,11H,2-7H2,1H3,(H2,18,19,20).
What are the key properties of 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea?
1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea has a molecular weight of 293.80 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methyl-3-pyridinyl)-3-(1-cyclobutylcyclobutyl)urea is sourced from PubChem (CID 146092371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).