5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide

C19H16BrN3O — CID 109231882

IUPAC5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C19H16BrN3O/c20-16-6-8-17(9-7-16)23-19(24)15-10-18(13-21-12-15)22-11-14-4-2-1-3-5-14/h1-10,12-13,22H,11H2,(H,23,24)
InChIKeyGRBLMNNUUQDDMV-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.71
Rot. Bonds5

About 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide

5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide (PubChem CID 109231882) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
PubChem CID109231882
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cncc(NCc2ccccc2)c1
InChIInChI=1S/C19H16BrN3O/c20-16-6-8-17(9-7-16)23-19(24)15-10-18(13-21-12-15)22-11-14-4-2-1-3-5-14/h1-10,12-13,22H,11H2,(H,23,24)
InChIKeyGRBLMNNUUQDDMV-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.71
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
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
5-(benzylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109231930
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide (CID 109231882) is 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cncc(NCc2ccccc2)c1.
What is the InChIKey of 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide?
The InChIKey is GRBLMNNUUQDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-16-6-8-17(9-7-16)23-19(24)15-10-18(13-21-12-15)22-11-14-4-2-1-3-5-14/h1-10,12-13,22H,11H2,(H,23,24).
What are the key properties of 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide?
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).