N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide

C13H19BrN2O — CID 58870383

IUPACN-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(CCCCCBr)C(=O)Cc1cccnc1
InChIInChI=1S/C13H19BrN2O/c1-16(9-4-2-3-7-14)13(17)10-12-6-5-8-15-11-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyOGDBUTVRQRQLKB-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.65
Rot. Bonds7

About N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide

N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide (PubChem CID 58870383) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
PubChem CID58870383
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(CCCCCBr)C(=O)Cc1cccnc1
InChIInChI=1S/C13H19BrN2O/c1-16(9-4-2-3-7-14)13(17)10-12-6-5-8-15-11-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyOGDBUTVRQRQLKB-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide (CID 58870383) is N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide is CN(CCCCCBr)C(=O)Cc1cccnc1.
What is the InChIKey of N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide?
The InChIKey is OGDBUTVRQRQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(9-4-2-3-7-14)13(17)10-12-6-5-8-15-11-12/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide?
N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide has a molecular weight of 299.21 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 58870383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).