1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea

C20H21N3O2 — CID 95189163

IUPAC1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C20H21N3O2/c1-14-6-7-15(11-21-14)12-22-20(25)23-13-19(24)18-9-8-16-4-2-3-5-17(16)10-18/h2-11,19,24H,12-13H2,1H3,(H2,22,23,25)/t19-/m1/s1
InChIKeyVMEGMYCHPYDJOE-LJQANCHMSA-N
MW335.41 g/mol
LogP3.08
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea

1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea (PubChem CID 95189163) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
PubChem CID95189163
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C20H21N3O2/c1-14-6-7-15(11-21-14)12-22-20(25)23-13-19(24)18-9-8-16-4-2-3-5-17(16)10-18/h2-11,19,24H,12-13H2,1H3,(H2,22,23,25)/t19-/m1/s1
InChIKeyVMEGMYCHPYDJOE-LJQANCHMSA-N
XLogP3.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)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-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 95189244
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 95189519
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]urea
CID 86903823
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
3-methyl-2-[[(6-methyl-3-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 65226600
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
CID 110900450
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111338

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea (CID 95189163) is 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea is Cc1ccc(CNC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
The InChIKey is VMEGMYCHPYDJOE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-7-15(11-21-14)12-22-20(25)23-13-19(24)18-9-8-16-4-2-3-5-17(16)10-18/h2-11,19,24H,12-13H2,1H3,(H2,22,23,25)/t19-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 95189163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).