1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea

C14H19N5O2 — CID 72883787

IUPAC1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea
SMILESCc1cc(=O)[nH]c(C)c1NC(=O)NCCCn1ccnc1
InChIInChI=1S/C14H19N5O2/c1-10-8-12(20)17-11(2)13(10)18-14(21)16-4-3-6-19-7-5-15-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyGSEQDJGABFRSPT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.40
Rot. Bonds5

About 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea

1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 72883787) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea
PubChem CID72883787
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea
SMILESCc1cc(=O)[nH]c(C)c1NC(=O)NCCCn1ccnc1
InChIInChI=1S/C14H19N5O2/c1-10-8-12(20)17-11(2)13(10)18-14(21)16-4-3-6-19-7-5-15-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyGSEQDJGABFRSPT-UHFFFAOYSA-N
XLogP1.40
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 55924710
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
1-(3-chloro-2-methylsulfanylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 75374612

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea (CID 72883787) is 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea is Cc1cc(=O)[nH]c(C)c1NC(=O)NCCCn1ccnc1.
What is the InChIKey of 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is GSEQDJGABFRSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-12(20)17-11(2)13(10)18-14(21)16-4-3-6-19-7-5-15-9-19/h5,7-9H,3-4,6H2,1-2H3,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea?
1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 72883787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).