1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea

C25H27N3O2 — CID 137422990

IUPAC1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea
SMILESCc1cnc(-c2ccccc2)c(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c1
InChIInChI=1S/C25H27N3O2/c1-16-13-20(22(26-15-16)17-9-5-4-6-10-17)27-24(30)28-23-18-11-7-8-12-19(18)25(2,3)14-21(23)29/h4-13,15,21,23,29H,14H2,1-3H3,(H2,27,28,30)/t21-,23-/m1/s1
InChIKeyCNYOZIJJCUDSLV-FYYLOGMGSA-N
MW401.51 g/mol
LogP4.96
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea

1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea (PubChem CID 137422990) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea
PubChem CID137422990
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea
SMILESCc1cnc(-c2ccccc2)c(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c1
InChIInChI=1S/C25H27N3O2/c1-16-13-20(22(26-15-16)17-9-5-4-6-10-17)27-24(30)28-23-18-11-7-8-12-19(18)25(2,3)14-21(23)29/h4-13,15,21,23,29H,14H2,1-3H3,(H2,27,28,30)/t21-,23-/m1/s1
InChIKeyCNYOZIJJCUDSLV-FYYLOGMGSA-N
XLogP4.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea (CID 137422990) is 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea is Cc1cnc(-c2ccccc2)c(NC(=O)N[C@@H]2c3ccccc3C(C)(C)C[C@H]2O)c1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea?
The InChIKey is CNYOZIJJCUDSLV-FYYLOGMGSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-13-20(22(26-15-16)17-9-5-4-6-10-17)27-24(30)28-23-18-11-7-8-12-19(18)25(2,3)14-21(23)29/h4-13,15,21,23,29H,14H2,1-3H3,(H2,27,28,30)/t21-,23-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea?
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea has a molecular weight of 401.51 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea is sourced from PubChem (CID 137422990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).