1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide

C13H17BrClN3O — CID 171690791

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C13H17BrClN3O/c1-17(2)13(19)9-3-5-18(6-4-9)12-11(14)7-10(15)8-16-12/h7-9H,3-6H2,1-2H3
InChIKeyQYQCCJHJHBSGFT-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.80
Rot. Bonds2

About 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide

1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 171690791) has the molecular formula C13H17BrClN3O and a molecular weight of 346.66 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID171690791
Molecular FormulaC13H17BrClN3O
Molecular Weight346.66 g/mol
Exact Mass345.02
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncc(Cl)cc2Br)CC1
InChIInChI=1S/C13H17BrClN3O/c1-17(2)13(19)9-3-5-18(6-4-9)12-11(14)7-10(15)8-16-12/h7-9H,3-6H2,1-2H3
InChIKeyQYQCCJHJHBSGFT-UHFFFAOYSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide (CID 171690791) is 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2ncc(Cl)cc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is QYQCCJHJHBSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3O/c1-17(2)13(19)9-3-5-18(6-4-9)12-11(14)7-10(15)8-16-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 346.66 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 171690791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).