5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C20H18BrN3O — CID 109235844

IUPAC5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H18BrN3O/c21-17-6-8-18(9-7-17)24-19-12-16(13-22-14-19)20(25)23-11-10-15-4-2-1-3-5-15/h1-9,12-14,24H,10-11H2,(H,23,25)
InChIKeyFOTAVNQHKVNQOW-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.56
Rot. Bonds6

About 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109235844) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109235844
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H18BrN3O/c21-17-6-8-18(9-7-17)24-19-12-16(13-22-14-19)20(25)23-11-10-15-4-2-1-3-5-15/h1-9,12-14,24H,10-11H2,(H,23,25)
InChIKeyFOTAVNQHKVNQOW-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
methyl 4-[[5-(3-phenylpropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109239067
5-(cyclopropylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109223789
5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
N-(2-phenylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109235856
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109235844) is 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cncc(Nc2ccc(Br)cc2)c1.
What is the InChIKey of 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is FOTAVNQHKVNQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-17-6-8-18(9-7-17)24-19-12-16(13-22-14-19)20(25)23-11-10-15-4-2-1-3-5-15/h1-9,12-14,24H,10-11H2,(H,23,25).
What are the key properties of 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).