1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea

C18H22BrN3O2 — CID 22266501

IUPAC1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea
SMILESCCCCn1c(C)c(C)cc(NC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C18H22BrN3O2/c1-4-5-10-22-13(3)12(2)11-16(17(22)23)21-18(24)20-15-9-7-6-8-14(15)19/h6-9,11H,4-5,10H2,1-3H3,(H2,20,21,24)
InChIKeyGZGOBDYWXQKLGP-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.67
Rot. Bonds5

About 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea

1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea (PubChem CID 22266501) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea
PubChem CID22266501
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea
SMILESCCCCn1c(C)c(C)cc(NC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C18H22BrN3O2/c1-4-5-10-22-13(3)12(2)11-16(17(22)23)21-18(24)20-15-9-7-6-8-14(15)19/h6-9,11H,4-5,10H2,1-3H3,(H2,20,21,24)
InChIKeyGZGOBDYWXQKLGP-UHFFFAOYSA-N
XLogP4.67
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea
CID 71660058
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-methoxybenzamide
CID 23587986
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
CID 23587977
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
1-(2-bromophenyl)-3-[2-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]urea
CID 23819618
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea (CID 22266501) is 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea is CCCCn1c(C)c(C)cc(NC(=O)Nc2ccccc2Br)c1=O.
What is the InChIKey of 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea?
The InChIKey is GZGOBDYWXQKLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-4-5-10-22-13(3)12(2)11-16(17(22)23)21-18(24)20-15-9-7-6-8-14(15)19/h6-9,11H,4-5,10H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea?
1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea has a molecular weight of 392.30 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 22266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).