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

C19H16BrN3O — CID 109188098

IUPAC5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C19H16BrN3O/c20-15-7-4-8-16(11-15)23-19(24)18-10-9-17(13-22-18)21-12-14-5-2-1-3-6-14/h1-11,13,21H,12H2,(H,23,24)
InChIKeyVFYUQAJGTYKJGS-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.71
Rot. Bonds5

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

5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide (PubChem CID 109188098) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
PubChem CID109188098
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C19H16BrN3O/c20-15-7-4-8-16(11-15)23-19(24)18-10-9-17(13-22-18)21-12-14-5-2-1-3-6-14/h1-11,13,21H,12H2,(H,23,24)
InChIKeyVFYUQAJGTYKJGS-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-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191938
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
CID 53108676
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
CID 113436329

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide (CID 109188098) is 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide is O=C(Nc1cccc(Br)c1)c1ccc(NCc2ccccc2)cn1.
What is the InChIKey of 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide?
The InChIKey is VFYUQAJGTYKJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-15-7-4-8-16(11-15)23-19(24)18-10-9-17(13-22-18)21-12-14-5-2-1-3-6-14/h1-11,13,21H,12H2,(H,23,24).
What are the key properties of 5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide?
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-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-(3-bromophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).