5-bromo-N-(3-methyl-2-pyridinyl)pentanamide

C11H15BrN2O — CID 107907296

IUPAC5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
SMILESCc1cccnc1NC(=O)CCCCBr
InChIInChI=1S/C11H15BrN2O/c1-9-5-4-8-13-11(9)14-10(15)6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyQTDYCDSLNODHTR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.89
Rot. Bonds5

About 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide

5-bromo-N-(3-methyl-2-pyridinyl)pentanamide (PubChem CID 107907296) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
PubChem CID107907296
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
SMILESCc1cccnc1NC(=O)CCCCBr
InChIInChI=1S/C11H15BrN2O/c1-9-5-4-8-13-11(9)14-10(15)6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyQTDYCDSLNODHTR-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
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

5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096727
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 4175653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide (CID 107907296) is 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide is Cc1cccnc1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide?
The InChIKey is QTDYCDSLNODHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-9-5-4-8-13-11(9)14-10(15)6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide?
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide has a molecular weight of 271.16 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyl-2-pyridinyl)pentanamide is sourced from PubChem (CID 107907296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).