N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide

C14H15BrN2O — CID 155172186

IUPACN-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1C=CC=C(CC(=O)Nc2cncc(Br)c2)C1
InChIInChI=1S/C14H15BrN2O/c1-10-3-2-4-11(5-10)6-14(18)17-13-7-12(15)8-16-9-13/h2-4,7-10H,5-6H2,1H3,(H,17,18)
InChIKeyZMJGZUNMRVHXKL-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.70
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide

N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 155172186) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID155172186
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1C=CC=C(CC(=O)Nc2cncc(Br)c2)C1
InChIInChI=1S/C14H15BrN2O/c1-10-3-2-4-11(5-10)6-14(18)17-13-7-12(15)8-16-9-13/h2-4,7-10H,5-6H2,1H3,(H,17,18)
InChIKeyZMJGZUNMRVHXKL-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
N-(5-bromo-3-pyridinyl)-2-methoxyacetamide
CID 130164423
2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
CID 114222291
N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130164401
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
[4-[(5-bromo-3-pyridinyl)amino]-4-oxobutyl]-methylcarbamic acid
CID 174224336
N-(5-bromo-3-pyridinyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114223341
5-[(5-bromo-3-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 114222657
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide (CID 155172186) is N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide is CC1C=CC=C(CC(=O)Nc2cncc(Br)c2)C1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is ZMJGZUNMRVHXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-3-2-4-11(5-10)6-14(18)17-13-7-12(15)8-16-9-13/h2-4,7-10H,5-6H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 307.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-2-(5-methylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 155172186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).