N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide

C19H17BrFN5O — CID 55922146

IUPACN-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C19H17BrFN5O/c20-13-4-5-16(22-10-13)25-19(27)12-6-8-26(9-7-12)18-17-14(21)2-1-3-15(17)23-11-24-18/h1-5,10-12H,6-9H2,(H,22,25,27)
InChIKeyPUCSTXUTFBCDRT-UHFFFAOYSA-N
MW430.28 g/mol
LogP3.78
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide (PubChem CID 55922146) has the molecular formula C19H17BrFN5O and a molecular weight of 430.28 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide
PubChem CID55922146
Molecular FormulaC19H17BrFN5O
Molecular Weight430.28 g/mol
Exact Mass429.06
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C19H17BrFN5O/c20-13-4-5-16(22-10-13)25-19(27)12-6-8-26(9-7-12)18-17-14(21)2-1-3-15(17)23-11-24-18/h1-5,10-12H,6-9H2,(H,22,25,27)
InChIKeyPUCSTXUTFBCDRT-UHFFFAOYSA-N
XLogP3.78
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide (CID 55922146) is N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(c2ncnc3cccc(F)c23)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
The InChIKey is PUCSTXUTFBCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN5O/c20-13-4-5-16(22-10-13)25-19(27)12-6-8-26(9-7-12)18-17-14(21)2-1-3-15(17)23-11-24-18/h1-5,10-12H,6-9H2,(H,22,25,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide has a molecular weight of 430.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(5-fluoroquinazolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55922146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).