1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea

C17H19BrN4O — CID 133317283

IUPAC1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
SMILESCC(Nc1cncc(Br)c1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H19BrN4O/c1-11(20-16-8-13(18)9-19-10-16)12-2-4-14(5-3-12)21-17(23)22-15-6-7-15/h2-5,8-11,15,20H,6-7H2,1H3,(H2,21,22,23)
InChIKeyPCEHFYJUBRGSIX-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.30
Rot. Bonds5

About 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea

1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea (PubChem CID 133317283) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
PubChem CID133317283
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
SMILESCC(Nc1cncc(Br)c1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H19BrN4O/c1-11(20-16-8-13(18)9-19-10-16)12-2-4-14(5-3-12)21-17(23)22-15-6-7-15/h2-5,8-11,15,20H,6-7H2,1H3,(H2,21,22,23)
InChIKeyPCEHFYJUBRGSIX-UHFFFAOYSA-N
XLogP4.30
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(4-bromo-2-nitroanilino)ethyl]phenyl]-3-cyclopropylurea
CID 78899342
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
CID 97337891
[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
CID 103932386
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea (CID 133317283) is 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea is CC(Nc1cncc(Br)c1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea?
The InChIKey is PCEHFYJUBRGSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-11(20-16-8-13(18)9-19-10-16)12-2-4-14(5-3-12)21-17(23)22-15-6-7-15/h2-5,8-11,15,20H,6-7H2,1H3,(H2,21,22,23).
What are the key properties of 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea?
1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea has a molecular weight of 375.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 133317283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).