N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide

C18H18BrN3O2 — CID 109081299

IUPACN-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18BrN3O2/c19-14-4-6-15(7-5-14)21-17(23)13-8-9-20-16(12-13)18(24)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyXRMNUOKDTAEATR-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.72
Rot. Bonds3

About N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide

N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109081299) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109081299
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18BrN3O2/c19-14-4-6-15(7-5-14)21-17(23)13-8-9-20-16(12-13)18(24)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyXRMNUOKDTAEATR-UHFFFAOYSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328
2-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109090787
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081286

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide (CID 109081299) is N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is XRMNUOKDTAEATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-14-4-6-15(7-5-14)21-17(23)13-8-9-20-16(12-13)18(24)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).