N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide

C14H20BrN3O — CID 115274071

IUPACN-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN3O/c1-18-8-6-11(7-9-18)2-5-14(19)17-13-4-3-12(15)10-16-13/h3-4,10-11H,2,5-9H2,1H3,(H,16,17,19)
InChIKeyIBYJAAIFTGEEPI-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.90
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide

N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 115274071) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID115274071
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN3O/c1-18-8-6-11(7-9-18)2-5-14(19)17-13-4-3-12(15)10-16-13/h3-4,10-11H,2,5-9H2,1H3,(H,16,17,19)
InChIKeyIBYJAAIFTGEEPI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
CID 115274048
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(5-bromo-2-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60712565
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
5-bromo-2-[3-(1-methylpiperidin-4-yl)propoxy]pyridine
CID 57434768
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 61234995
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide (CID 115274071) is N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide is CN1CCC(CCC(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is IBYJAAIFTGEEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18-8-6-11(7-9-18)2-5-14(19)17-13-4-3-12(15)10-16-13/h3-4,10-11H,2,5-9H2,1H3,(H,16,17,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide?
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 326.24 g/mol, XLogP of 2.90, 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)-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 115274071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).