N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide

C16H17BrN4O — CID 133270068

IUPACN-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17BrN4O/c17-13-4-5-14(19-11-13)20-16(22)12-6-9-21(10-7-12)15-3-1-2-8-18-15/h1-5,8,11-12H,6-7,9-10H2,(H,19,20,22)
InChIKeyXCRWZKSPIKJPIX-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.09
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 133270068) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID133270068
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC NameN-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17BrN4O/c17-13-4-5-14(19-11-13)20-16(22)12-6-9-21(10-7-12)15-3-1-2-8-18-15/h1-5,8,11-12H,6-7,9-10H2,(H,19,20,22)
InChIKeyXCRWZKSPIKJPIX-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide (CID 133270068) is N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is XCRWZKSPIKJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-13-4-5-14(19-11-13)20-16(22)12-6-9-21(10-7-12)15-3-1-2-8-18-15/h1-5,8,11-12H,6-7,9-10H2,(H,19,20,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 133270068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).