N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C16H16BrN3O2S — CID 78844765

IUPACN-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C16H16BrN3O2S/c17-11-6-7-14(18-10-11)19-15(21)12-4-1-2-8-20(12)16(22)13-5-3-9-23-13/h3,5-7,9-10,12H,1-2,4,8H2,(H,18,19,21)
InChIKeyIVICXRJFNORHHV-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.54
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78844765) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78844765
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C16H16BrN3O2S/c17-11-6-7-14(18-10-11)19-15(21)12-4-1-2-8-20(12)16(22)13-5-3-9-23-13/h3,5-7,9-10,12H,1-2,4,8H2,(H,18,19,21)
InChIKeyIVICXRJFNORHHV-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112812455
N-(5-chloro-2-pyridinyl)-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 55940452
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
N-(4-bromo-2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 3130752
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112827070
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 154736095
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843116

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78844765) is N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is IVICXRJFNORHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c17-11-6-7-14(18-10-11)19-15(21)12-4-1-2-8-20(12)16(22)13-5-3-9-23-13/h3,5-7,9-10,12H,1-2,4,8H2,(H,18,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 394.29 g/mol, XLogP of 3.54, 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-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78844765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).