N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide

C12H16BrN3O — CID 126623972

IUPACN-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)n1)C1CCCNC1
InChIInChI=1S/C12H16BrN3O/c13-11-5-1-4-10(16-11)8-15-12(17)9-3-2-6-14-7-9/h1,4-5,9,14H,2-3,6-8H2,(H,15,17)
InChIKeyAVVBVBXVVKHTFU-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.46
Rot. Bonds3

About N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide

N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 126623972) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID126623972
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)n1)C1CCCNC1
InChIInChI=1S/C12H16BrN3O/c13-11-5-1-4-10(16-11)8-15-12(17)9-3-2-6-14-7-9/h1,4-5,9,14H,2-3,6-8H2,(H,15,17)
InChIKeyAVVBVBXVVKHTFU-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896121
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxamide
CID 119882742
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 126623972) is N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide is O=C(NCc1cccc(Br)n1)C1CCCNC1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is AVVBVBXVVKHTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-11-5-1-4-10(16-11)8-15-12(17)9-3-2-6-14-7-9/h1,4-5,9,14H,2-3,6-8H2,(H,15,17).
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 126623972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).