2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide

C13H19BrN4O — CID 79994575

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN4O/c1-9-4-11(15)7-18(6-9)8-13(19)17-12-3-2-10(14)5-16-12/h2-3,5,9,11H,4,6-8,15H2,1H3,(H,16,17,19)
InChIKeyYDDNFVJUDGUCIM-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 79994575) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID79994575
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN4O/c1-9-4-11(15)7-18(6-9)8-13(19)17-12-3-2-10(14)5-16-12/h2-3,5,9,11H,4,6-8,15H2,1H3,(H,16,17,19)
InChIKeyYDDNFVJUDGUCIM-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 61234995
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
CID 120728422
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79993013
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 79992916
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 79992672
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide (CID 79994575) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide is CC1CC(N)CN(CC(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is YDDNFVJUDGUCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-9-4-11(15)7-18(6-9)8-13(19)17-12-3-2-10(14)5-16-12/h2-3,5,9,11H,4,6-8,15H2,1H3,(H,16,17,19).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 327.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 79994575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).