1-(4-bromo-2-pyridinyl)-3-propylurea

C9H12BrN3O — CID 102820656

IUPAC1-(4-bromo-2-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C9H12BrN3O/c1-2-4-12-9(14)13-8-6-7(10)3-5-11-8/h3,5-6H,2,4H2,1H3,(H2,11,12,13,14)
InChIKeyBNEFMANROLLEOZ-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-bromo-2-pyridinyl)-3-propylurea

1-(4-bromo-2-pyridinyl)-3-propylurea (PubChem CID 102820656) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-3-propylurea
PubChem CID102820656
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name1-(4-bromo-2-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C9H12BrN3O/c1-2-4-12-9(14)13-8-6-7(10)3-5-11-8/h3,5-6H,2,4H2,1H3,(H2,11,12,13,14)
InChIKeyBNEFMANROLLEOZ-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[(4-bromo-2-pyridinyl)carbamoylamino]ethyl]carbamate
CID 108864612
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
1-(4-bromo-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913036
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
CID 108868113

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-3-propylurea?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-3-propylurea (CID 102820656) is 1-(4-bromo-2-pyridinyl)-3-propylurea.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-3-propylurea?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-3-propylurea is CCCNC(=O)Nc1cc(Br)ccn1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-3-propylurea?
The InChIKey is BNEFMANROLLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-2-4-12-9(14)13-8-6-7(10)3-5-11-8/h3,5-6H,2,4H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(4-bromo-2-pyridinyl)-3-propylurea?
1-(4-bromo-2-pyridinyl)-3-propylurea has a molecular weight of 258.12 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-3-propylurea is sourced from PubChem (CID 102820656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).