5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide

C15H14Br2N2O — CID 62953884

IUPAC5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H14Br2N2O/c1-10(8-11-2-4-12(16)5-3-11)19-15(20)14-7-6-13(17)9-18-14/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyYMFXZVMFXOZUKX-UHFFFAOYSA-N
MW398.10 g/mol
LogP3.97
Rot. Bonds4

About 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide

5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 62953884) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
PubChem CID62953884
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H14Br2N2O/c1-10(8-11-2-4-12(16)5-3-11)19-15(20)14-7-6-13(17)9-18-14/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyYMFXZVMFXOZUKX-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 81317136
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-(1-cyanoethyl)pyridine-2-carboxamide
CID 62959350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide (CID 62953884) is 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is YMFXZVMFXOZUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-10(8-11-2-4-12(16)5-3-11)19-15(20)14-7-6-13(17)9-18-14/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide?
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 398.10 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 62953884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).