N-(6-bromo-2-pyridinyl)-2-ethylhexanamide

C13H19BrN2O — CID 43520540

IUPACN-(6-bromo-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H19BrN2O/c1-3-5-7-10(4-2)13(17)16-12-9-6-8-11(14)15-12/h6,8-10H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyBPNNEJRBVYUVSM-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.00
Rot. Bonds6

About N-(6-bromo-2-pyridinyl)-2-ethylhexanamide

N-(6-bromo-2-pyridinyl)-2-ethylhexanamide (PubChem CID 43520540) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-ethylhexanamide
PubChem CID43520540
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(6-bromo-2-pyridinyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H19BrN2O/c1-3-5-7-10(4-2)13(17)16-12-9-6-8-11(14)15-12/h6,8-10H,3-5,7H2,1-2H3,(H,15,16,17)
InChIKeyBPNNEJRBVYUVSM-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.00
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

2-ethyl-N-(6-methyl-2-pyridinyl)hexanamide
CID 3528260
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
CID 148676240
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
butyl N-[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 172825180
[3,5-bis[[6-(2-ethylhexanoylamino)-2-pyridinyl]carbamoyl]phenyl] benzoate
CID 53392656
2-ethyl-N-(4-methyl-2-pyridinyl)hexanamide
CID 4195795
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-ethylhexanamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-ethylhexanamide (CID 43520540) is N-(6-bromo-2-pyridinyl)-2-ethylhexanamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-ethylhexanamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-ethylhexanamide?
The InChIKey is BPNNEJRBVYUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-5-7-10(4-2)13(17)16-12-9-6-8-11(14)15-12/h6,8-10H,3-5,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(6-bromo-2-pyridinyl)-2-ethylhexanamide?
N-(6-bromo-2-pyridinyl)-2-ethylhexanamide has a molecular weight of 299.21 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-ethylhexanamide is sourced from PubChem (CID 43520540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).