1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea

C19H23N3O2 — CID 75433377

IUPAC1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea
SMILESC=CCCC(NC(=O)Nc1cn(C)c(=O)cc1C)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-4-5-11-16(15-9-7-6-8-10-15)20-19(24)21-17-13-22(3)18(23)12-14(17)2/h4,6-10,12-13,16H,1,5,11H2,2-3H3,(H2,20,21,24)
InChIKeyKILICCQXKRPQCB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds6

About 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea

1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea (PubChem CID 75433377) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea
PubChem CID75433377
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea
SMILESC=CCCC(NC(=O)Nc1cn(C)c(=O)cc1C)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-4-5-11-16(15-9-7-6-8-10-15)20-19(24)21-17-13-22(3)18(23)12-14(17)2/h4,6-10,12-13,16H,1,5,11H2,2-3H3,(H2,20,21,24)
InChIKeyKILICCQXKRPQCB-UHFFFAOYSA-N
XLogP3.52
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 96522941
(2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 96522942
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
4-acetyl-N-[(1R)-1-phenylpent-4-enyl]-1,4-diazepane-1-carboxamide
CID 124611060
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea
CID 167990779
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 97314632
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide
CID 129400358
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 71860456
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea?
The IUPAC name of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea (CID 75433377) is 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea.
What is the SMILES notation for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea?
The canonical SMILES for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea is C=CCCC(NC(=O)Nc1cn(C)c(=O)cc1C)c1ccccc1.
What is the InChIKey of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea?
The InChIKey is KILICCQXKRPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-5-11-16(15-9-7-6-8-10-15)20-19(24)21-17-13-22(3)18(23)12-14(17)2/h4,6-10,12-13,16H,1,5,11H2,2-3H3,(H2,20,21,24).
What are the key properties of 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea?
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea has a molecular weight of 325.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea is sourced from PubChem (CID 75433377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).