N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide

C19H16BrN3O — CID 110614697

IUPACN-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccc(Br)nc1)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c20-18-10-9-16(13-22-18)23-19(24)17(14-6-2-1-3-7-14)12-15-8-4-5-11-21-15/h1-11,13,17H,12H2,(H,23,24)
InChIKeyIMAIIRQMEUKGIG-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.20
Rot. Bonds5

About N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide

N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 110614697) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
PubChem CID110614697
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccc(Br)nc1)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c20-18-10-9-16(13-22-18)23-19(24)17(14-6-2-1-3-7-14)12-15-8-4-5-11-21-15/h1-11,13,17H,12H2,(H,23,24)
InChIKeyIMAIIRQMEUKGIG-UHFFFAOYSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-3-pyridin-2-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 110628941
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110426267
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110607882
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110608109
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
CID 110408468
2-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110296341
1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110408656
3-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-phenylpropanamide
CID 62876785
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide (CID 110614697) is N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide is O=C(Nc1ccc(Br)nc1)C(Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is IMAIIRQMEUKGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-18-10-9-16(13-22-18)23-19(24)17(14-6-2-1-3-7-14)12-15-8-4-5-11-21-15/h1-11,13,17H,12H2,(H,23,24).
What are the key properties of N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide?
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 382.26 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110614697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).