N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide

C13H15BrN2O — CID 97007964

IUPACN-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCc1ccnc(Br)c1NC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C13H15BrN2O/c1-9-6-7-15-13(14)12(9)16-11(17)8-10-4-2-3-5-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyVLTIASFXIDHICC-SNVBAGLBSA-N
MW295.18 g/mol
LogP3.45
Rot. Bonds3

About N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide

N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide (PubChem CID 97007964) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
PubChem CID97007964
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
SMILESCc1ccnc(Br)c1NC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C13H15BrN2O/c1-9-6-7-15-13(14)12(9)16-11(17)8-10-4-2-3-5-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyVLTIASFXIDHICC-SNVBAGLBSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 71849772
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
CID 114916266
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 103730318
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529229
2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24621135
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide (CID 97007964) is N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide is Cc1ccnc(Br)c1NC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is VLTIASFXIDHICC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-6-7-15-13(14)12(9)16-11(17)8-10-4-2-3-5-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide?
N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 295.18 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methyl-3-pyridinyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 97007964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).