3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide

C11H12Br2N2O — CID 75522226

IUPAC3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncc(Br)cc1Br)C1CC1
InChIInChI=1S/C11H12Br2N2O/c1-6(7-2-3-7)15-11(16)10-9(13)4-8(12)5-14-10/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyNOZYYVNPPFNUFT-UHFFFAOYSA-N
MW348.04 g/mol
LogP3.13
Rot. Bonds3

About 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide

3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide (PubChem CID 75522226) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
PubChem CID75522226
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncc(Br)cc1Br)C1CC1
InChIInChI=1S/C11H12Br2N2O/c1-6(7-2-3-7)15-11(16)10-9(13)4-8(12)5-14-10/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyNOZYYVNPPFNUFT-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
CID 130174766
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62406728
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
The IUPAC name of 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide (CID 75522226) is 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ncc(Br)cc1Br)C1CC1.
What is the InChIKey of 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
The InChIKey is NOZYYVNPPFNUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c1-6(7-2-3-7)15-11(16)10-9(13)4-8(12)5-14-10/h4-7H,2-3H2,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide?
3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide has a molecular weight of 348.04 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 75522226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).