6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide

C13H15BrN2O — CID 66462749

IUPAC6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(Br)nc1
InChIInChI=1S/C13H15BrN2O/c14-11-6-5-10(7-15-11)13(17)16-12(8-1-2-8)9-3-4-9/h5-9,12H,1-4H2,(H,16,17)
InChIKeyOBZYPNIETMBIFB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.76
Rot. Bonds4

About 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide

6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide (PubChem CID 66462749) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
PubChem CID66462749
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1ccc(Br)nc1
InChIInChI=1S/C13H15BrN2O/c14-11-6-5-10(7-15-11)13(17)16-12(8-1-2-8)9-3-4-9/h5-9,12H,1-4H2,(H,16,17)
InChIKeyOBZYPNIETMBIFB-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
CID 66462778
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide
CID 47421971
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-6-methoxypyridine-3-carboxamide
CID 91788122
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 66462526
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
N-(dicyclopropylmethyl)naphthalene-2-carboxamide
CID 18146384
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide (CID 66462749) is 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide is O=C(NC(C1CC1)C1CC1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide?
The InChIKey is OBZYPNIETMBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-6-5-10(7-15-11)13(17)16-12(8-1-2-8)9-3-4-9/h5-9,12H,1-4H2,(H,16,17).
What are the key properties of 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide?
6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide has a molecular weight of 295.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).