1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea

C17H20ClN3O3 — CID 95975954

IUPAC1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
SMILESCc1cc(C)c(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C17H20ClN3O3/c1-10-7-11(2)21-16(23)14(10)8-19-17(24)20-9-15(22)12-3-5-13(18)6-4-12/h3-7,15,22H,8-9H2,1-2H3,(H,21,23)(H2,19,20,24)/t15-/m0/s1
InChIKeyXXQIDDBZXAYBJN-HNNXBMFYSA-N
MW349.82 g/mol
LogP2.18
Rot. Bonds5

About 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea (PubChem CID 95975954) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
PubChem CID95975954
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
SMILESCc1cc(C)c(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C17H20ClN3O3/c1-10-7-11(2)21-16(23)14(10)8-19-17(24)20-9-15(22)12-3-5-13(18)6-4-12/h3-7,15,22H,8-9H2,1-2H3,(H,21,23)(H2,19,20,24)/t15-/m0/s1
InChIKeyXXQIDDBZXAYBJN-HNNXBMFYSA-N
XLogP2.18
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea with MolForge

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Related Compounds

1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 71941243
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CID 110896404
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
1-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95976867
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
4-chloro-N-[(4,6-dimethyl-2-sulfanylidene-1H-pyridin-3-yl)methyl]benzamide
CID 672153
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110903365
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea (CID 95975954) is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea is Cc1cc(C)c(CNC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The InChIKey is XXQIDDBZXAYBJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-10-7-11(2)21-16(23)14(10)8-19-17(24)20-9-15(22)12-3-5-13(18)6-4-12/h3-7,15,22H,8-9H2,1-2H3,(H,21,23)(H2,19,20,24)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea has a molecular weight of 349.82 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea is sourced from PubChem (CID 95975954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).