cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea

C24H33N3O5 — CID 167457259

IUPACcyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)n1.O=C(O)C1CCCCC1
InChIInChI=1S/C17H21N3O3.C7H12O2/c1-11(2)12-7-5-6-8-13(12)18-17(21)19-14-9-10-15(22-3)20-16(14)23-4;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3,(H2,18,19,21);6H,1-5H2,(H,8,9)
InChIKeyNNCDHIQDYZDGFX-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.52
Rot. Bonds6

About cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea

cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 167457259) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID167457259
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Namecyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)n1.O=C(O)C1CCCCC1
InChIInChI=1S/C17H21N3O3.C7H12O2/c1-11(2)12-7-5-6-8-13(12)18-17(21)19-14-9-10-15(22-3)20-16(14)23-4;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3,(H2,18,19,21);6H,1-5H2,(H,8,9)
InChIKeyNNCDHIQDYZDGFX-UHFFFAOYSA-N
XLogP5.52
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)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-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
cyclohexanecarboxylic acid;1-[2-(2,2-difluoroethoxy)-6-(methoxymethyl)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
CID 167456545
1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
CID 167456812
1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane
CID 167456640
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylic acid
CID 175090918
N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456140
5-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]spiro[2.3]hexane-2-carboxylic acid
CID 167456964
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
CID 167456464
2-(cyclohexanecarbonylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 1287138
tert-butyl 3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 146265796
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea (CID 167457259) is cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)n1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is NNCDHIQDYZDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.C7H12O2/c1-11(2)12-7-5-6-8-13(12)18-17(21)19-14-9-10-15(22-3)20-16(14)23-4;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3,(H2,18,19,21);6H,1-5H2,(H,8,9).
What are the key properties of cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 443.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167457259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).