N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide

C14H20BrN3O — CID 47130960

IUPACN-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H20BrN3O/c1-2-12-5-3-4-8-18(12)10-14(19)17-13-7-6-11(15)9-16-13/h6-7,9,12H,2-5,8,10H2,1H3,(H,16,17,19)
InChIKeyVXCCQEMLPIVOII-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.05
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 47130960) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID47130960
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H20BrN3O/c1-2-12-5-3-4-8-18(12)10-14(19)17-13-7-6-11(15)9-16-13/h6-7,9,12H,2-5,8,10H2,1H3,(H,16,17,19)
InChIKeyVXCCQEMLPIVOII-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009845
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441331
N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 55922690
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 130635124
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide (CID 47130960) is N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is VXCCQEMLPIVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-12-5-3-4-8-18(12)10-14(19)17-13-7-6-11(15)9-16-13/h6-7,9,12H,2-5,8,10H2,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 326.24 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 47130960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).