N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide

C13H18BrN3O — CID 115274139

IUPACN-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N(C)c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN3O/c1-16-7-5-10(6-8-16)13(18)17(2)12-4-3-11(14)9-15-12/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZJPKGGRGOWAWQF-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.15
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide (PubChem CID 115274139) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide
PubChem CID115274139
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N(C)c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H18BrN3O/c1-16-7-5-10(6-8-16)13(18)17(2)12-4-3-11(14)9-15-12/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZJPKGGRGOWAWQF-UHFFFAOYSA-N
XLogP2.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide (CID 115274139) is N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide is CN1CCC(C(=O)N(C)c2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide?
The InChIKey is ZJPKGGRGOWAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-16-7-5-10(6-8-16)13(18)17(2)12-4-3-11(14)9-15-12/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 115274139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).