5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide

C11H14Br2N2O — CID 80666509

IUPAC5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CCBr)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H14Br2N2O/c1-8(2)15(6-5-12)11(16)10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyXNKGWPGNIASZFC-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.09
Rot. Bonds4

About 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide

5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 80666509) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID80666509
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CCBr)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H14Br2N2O/c1-8(2)15(6-5-12)11(16)10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyXNKGWPGNIASZFC-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 62953059
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 59392699
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
N-(2-bromoethyl)-N-propan-2-ylpyridazine-4-carboxamide
CID 104672528
6-[2-cyanoethyl(propan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 54996635
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 113436082
5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62955102
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide (CID 80666509) is 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(CCBr)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is XNKGWPGNIASZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-8(2)15(6-5-12)11(16)10-4-3-9(13)7-14-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide?
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 350.05 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 80666509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).