1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea

C19H25N3O3 — CID 71941243

IUPAC1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
SMILESCc1cc(C)c(CNC(=O)NCC(CO)Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c1-13-8-14(2)22-18(24)17(13)11-21-19(25)20-10-16(12-23)9-15-6-4-3-5-7-15/h3-8,16,23H,9-12H2,1-2H3,(H,22,24)(H2,20,21,25)
InChIKeySXWMOXAETDXDGR-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.64
Rot. Bonds7

About 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea

1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea (PubChem CID 71941243) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
PubChem CID71941243
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
SMILESCc1cc(C)c(CNC(=O)NCC(CO)Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c1-13-8-14(2)22-18(24)17(13)11-21-19(25)20-10-16(12-23)9-15-6-4-3-5-7-15/h3-8,16,23H,9-12H2,1-2H3,(H,22,24)(H2,20,21,25)
InChIKeySXWMOXAETDXDGR-UHFFFAOYSA-N
XLogP1.64
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95975954
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
N-(2-hydroxy-3-phenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 71849451
N-[(2R)-2-hydroxy-3-phenylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97067509
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 162163581
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95150723
N-[(2S)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97133856
N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
CID 124847725
N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 31642872

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The IUPAC name of 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea (CID 71941243) is 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea.
What is the SMILES notation for 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The canonical SMILES for 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea is Cc1cc(C)c(CNC(=O)NCC(CO)Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The InChIKey is SXWMOXAETDXDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-8-14(2)22-18(24)17(13)11-21-19(25)20-10-16(12-23)9-15-6-4-3-5-7-15/h3-8,16,23H,9-12H2,1-2H3,(H,22,24)(H2,20,21,25).
What are the key properties of 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea is sourced from PubChem (CID 71941243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).