6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide

C14H17BrN2O — CID 66462778

IUPAC6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(C1CC1)C1CC1)c1ccc(Br)nc1
InChIInChI=1S/C14H17BrN2O/c15-13-6-5-11(7-16-13)14(18)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8H2,(H,17,18)
InChIKeyGFQLQQVJDADFMV-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.01
Rot. Bonds5

About 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide

6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide (PubChem CID 66462778) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
PubChem CID66462778
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(C1CC1)C1CC1)c1ccc(Br)nc1
InChIInChI=1S/C14H17BrN2O/c15-13-6-5-11(7-16-13)14(18)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8H2,(H,17,18)
InChIKeyGFQLQQVJDADFMV-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.01
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-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
CID 66462749
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
6-bromo-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759392
6-bromo-N-(3-ethyl-2-hydroxypentyl)pyridine-3-carboxamide
CID 103719398
6-bromo-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 66463336
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
CID 103279982
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 66464153

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide (CID 66462778) is 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide is O=C(NCC(C1CC1)C1CC1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide?
The InChIKey is GFQLQQVJDADFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-6-5-11(7-16-13)14(18)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8H2,(H,17,18).
What are the key properties of 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide?
6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide has a molecular weight of 309.21 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-dicyclopropylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).