1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea

C18H15BrN4O — CID 113019226

IUPAC1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C18H15BrN4O/c19-13-6-8-15(9-7-13)21-17-11-10-16(12-20-17)23-18(24)22-14-4-2-1-3-5-14/h1-12H,(H,20,21)(H2,22,23,24)
InChIKeyLGIDOQKBDSKYPL-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.23
Rot. Bonds4

About 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea

1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea (PubChem CID 113019226) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
PubChem CID113019226
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C18H15BrN4O/c19-13-6-8-15(9-7-13)21-17-11-10-16(12-20-17)23-18(24)22-14-4-2-1-3-5-14/h1-12H,(H,20,21)(H2,22,23,24)
InChIKeyLGIDOQKBDSKYPL-UHFFFAOYSA-N
XLogP5.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
1-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113021474
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162360

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea (CID 113019226) is 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Nc2ccc(Br)cc2)nc1.
What is the InChIKey of 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea?
The InChIKey is LGIDOQKBDSKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-13-6-8-15(9-7-13)21-17-11-10-16(12-20-17)23-18(24)22-14-4-2-1-3-5-14/h1-12H,(H,20,21)(H2,22,23,24).
What are the key properties of 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea?
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea has a molecular weight of 383.25 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113019226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).