N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide

C10H13BrN2O — CID 156613442

IUPACN-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide
SMILESCCC(=O)Nc1cc(C)nc(C)c1Br
InChIInChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyDVHOKCVJBHJLOQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.81
Rot. Bonds2

About N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide

N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide (PubChem CID 156613442) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide
PubChem CID156613442
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide
SMILESCCC(=O)Nc1cc(C)nc(C)c1Br
InChIInChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyDVHOKCVJBHJLOQ-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide?
The IUPAC name of N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide (CID 156613442) is N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide.
What is the SMILES notation for N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide?
The canonical SMILES for N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide is CCC(=O)Nc1cc(C)nc(C)c1Br.
What is the InChIKey of N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide?
The InChIKey is DVHOKCVJBHJLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide?
N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide has a molecular weight of 257.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,6-dimethyl-4-pyridinyl)propanamide is sourced from PubChem (CID 156613442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).