N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide

C20H18BrN3O — CID 109235964

IUPACN-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cncc(NCCc2ccccc2)c1
InChIInChI=1S/C20H18BrN3O/c21-17-6-8-18(9-7-17)24-20(25)16-12-19(14-22-13-16)23-11-10-15-4-2-1-3-5-15/h1-9,12-14,23H,10-11H2,(H,24,25)
InChIKeyAMSUSNSFZNGNQF-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.75
Rot. Bonds6

About N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide

N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109235964) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109235964
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cncc(NCCc2ccccc2)c1
InChIInChI=1S/C20H18BrN3O/c21-17-6-8-18(9-7-17)24-20(25)16-12-19(14-22-13-16)23-11-10-15-4-2-1-3-5-15/h1-9,12-14,23H,10-11H2,(H,24,25)
InChIKeyAMSUSNSFZNGNQF-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-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
5-(4-bromoanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235844
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 109237870
N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235944
5-[2-(4-chlorophenyl)ethylamino]-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109237881
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959
N-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236816

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide (CID 109235964) is N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cncc(NCCc2ccccc2)c1.
What is the InChIKey of N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is AMSUSNSFZNGNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-17-6-8-18(9-7-17)24-20(25)16-12-19(14-22-13-16)23-11-10-15-4-2-1-3-5-15/h1-9,12-14,23H,10-11H2,(H,24,25).
What are the key properties of N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-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-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).