5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide

C10H12Br2N2O — CID 114313414

IUPAC5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
SMILESCC(CBr)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H12Br2N2O/c1-7(3-11)4-14-10(15)8-2-9(12)6-13-5-8/h2,5-7H,3-4H2,1H3,(H,14,15)
InChIKeyNTVKNIKLGRLOTL-UHFFFAOYSA-N
MW336.03 g/mol
LogP2.60
Rot. Bonds4

About 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide

5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide (PubChem CID 114313414) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
PubChem CID114313414
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
SMILESCC(CBr)CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H12Br2N2O/c1-7(3-11)4-14-10(15)8-2-9(12)6-13-5-8/h2,5-7H,3-4H2,1H3,(H,14,15)
InChIKeyNTVKNIKLGRLOTL-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120653060
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
CID 76952947
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide (CID 114313414) is 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide is CC(CBr)CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is NTVKNIKLGRLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-7(3-11)4-14-10(15)8-2-9(12)6-13-5-8/h2,5-7H,3-4H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide?
5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 336.03 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 114313414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).