N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide

C10H13BrN2O — CID 58831700

IUPACN-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ncc(Br)c(C)c1C
InChIInChI=1S/C10H13BrN2O/c1-4-9(14)13-10-7(3)6(2)8(11)5-12-10/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyIYGONUQBIMIRHJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.81
Rot. Bonds2

About N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide

N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide (PubChem CID 58831700) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide
PubChem CID58831700
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ncc(Br)c(C)c1C
InChIInChI=1S/C10H13BrN2O/c1-4-9(14)13-10-7(3)6(2)8(11)5-12-10/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyIYGONUQBIMIRHJ-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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Related Compounds

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(2E)-N-(5-bromopyridin-2-yl)-3-phenylprop-2-enamide
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N-(5-bromo-2-pyridinyl)pentanamide
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N-(5-bromopyridin-2-yl)propanamide
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2-Acetamido-3-methylpyridine
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N-(4-Methyl-2-pyridyl)acetamide
CID 220485
2-Acetylamino-5-bromo-3-methylpyridine
CID 901948
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
N-(5-bromo-2-pyridinyl)heptanamide
CID 2225203
N-(5-bromo-2-pyridinyl)butanamide
CID 876084
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide?
The IUPAC name of N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide (CID 58831700) is N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide.
What is the SMILES notation for N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide?
The canonical SMILES for N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide is CCC(=O)Nc1ncc(Br)c(C)c1C.
What is the InChIKey of N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide?
The InChIKey is IYGONUQBIMIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-4-9(14)13-10-7(3)6(2)8(11)5-12-10/h5H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide?
N-(5-bromo-3,4-dimethyl-2-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-(5-bromo-3,4-dimethyl-2-pyridinyl)propanamide is sourced from PubChem (CID 58831700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).