N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide

C17H18BrN3O — CID 109182869

IUPACN-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)16-9-8-13(12-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,22)
InChIKeyDPPCMSUMFBXTST-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.09
Rot. Bonds3

About N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide

N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 109182869) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
PubChem CID109182869
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)16-9-8-13(12-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,22)
InChIKeyDPPCMSUMFBXTST-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199103
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide (CID 109182869) is N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide is O=C(Nc1ccccc1Br)c1ccc(N2CCCCC2)cn1.
What is the InChIKey of N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is DPPCMSUMFBXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)16-9-8-13(12-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,22).
What are the key properties of N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).