2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide

C13H18BrN3O — CID 114222291

IUPAC2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
SMILESNC1(CC(=O)Nc2cncc(Br)c2)CCCCC1
InChIInChI=1S/C13H18BrN3O/c14-10-6-11(9-16-8-10)17-12(18)7-13(15)4-2-1-3-5-13/h6,8-9H,1-5,7,15H2,(H,17,18)
InChIKeyFTMAXJXWJOHBSS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.83
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide

2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide (PubChem CID 114222291) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
PubChem CID114222291
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide
SMILESNC1(CC(=O)Nc2cncc(Br)c2)CCCCC1
InChIInChI=1S/C13H18BrN3O/c14-10-6-11(9-16-8-10)17-12(18)7-13(15)4-2-1-3-5-13/h6,8-9H,1-5,7,15H2,(H,17,18)
InChIKeyFTMAXJXWJOHBSS-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-pyrimidin-5-ylacetamide
CID 107588451
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
2-(1-aminocyclopentyl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734126
N-(5-bromo-3-pyridinyl)-2-cyclopropylacetamide
CID 130164428
2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid
CID 64676657
N-(5-bromo-3-pyridinyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114223341
N-(5-bromo-3-pyridinyl)-2-methoxyacetamide
CID 130164423
2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide (CID 114222291) is 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide is NC1(CC(=O)Nc2cncc(Br)c2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide?
The InChIKey is FTMAXJXWJOHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-10-6-11(9-16-8-10)17-12(18)7-13(15)4-2-1-3-5-13/h6,8-9H,1-5,7,15H2,(H,17,18).
What are the key properties of 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide?
2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide has a molecular weight of 312.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(5-bromo-3-pyridinyl)acetamide is sourced from PubChem (CID 114222291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).