N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide

C20H18BrN3O — CID 109191938

IUPACN-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C20H18BrN3O/c21-16-7-4-8-17(13-16)24-20(25)19-10-9-18(14-23-19)22-12-11-15-5-2-1-3-6-15/h1-10,13-14,22H,11-12H2,(H,24,25)
InChIKeyWADBZHVEQCWVRN-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.75
Rot. Bonds6

About N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide

N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109191938) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109191938
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C20H18BrN3O/c21-16-7-4-8-17(13-16)24-20(25)19-10-9-18(14-23-19)22-12-11-15-5-2-1-3-6-15/h1-10,13-14,22H,11-12H2,(H,24,25)
InChIKeyWADBZHVEQCWVRN-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-phenyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109193610
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide (CID 109191938) is N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide is O=C(Nc1cccc(Br)c1)c1ccc(NCCc2ccccc2)cn1.
What is the InChIKey of N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is WADBZHVEQCWVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-16-7-4-8-17(13-16)24-20(25)19-10-9-18(14-23-19)22-12-11-15-5-2-1-3-6-15/h1-10,13-14,22H,11-12H2,(H,24,25).
What are the key properties of N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide?
N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).