2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide

C12H14BrN3O2 — CID 103752814

IUPAC2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2ccnc(Br)c2)CCC1=O
InChIInChI=1S/C12H14BrN3O2/c1-16-7-9(2-3-11(16)17)15-12(18)8-4-5-14-10(13)6-8/h4-6,9H,2-3,7H2,1H3,(H,15,18)
InChIKeyLBUDNFODOGSZPC-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.19
Rot. Bonds2

About 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide

2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 103752814) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
PubChem CID103752814
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CC(NC(=O)c2ccnc(Br)c2)CCC1=O
InChIInChI=1S/C12H14BrN3O2/c1-16-7-9(2-3-11(16)17)15-12(18)8-4-5-14-10(13)6-8/h4-6,9H,2-3,7H2,1H3,(H,15,18)
InChIKeyLBUDNFODOGSZPC-UHFFFAOYSA-N
XLogP1.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
4-bromo-N-(1-methyl-6-oxopiperidin-3-yl)-3-nitrobenzamide
CID 64669403
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
4-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669449
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
CID 64667250

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (CID 103752814) is 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is CN1CC(NC(=O)c2ccnc(Br)c2)CCC1=O.
What is the InChIKey of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is LBUDNFODOGSZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-16-7-9(2-3-11(16)17)15-12(18)8-4-5-14-10(13)6-8/h4-6,9H,2-3,7H2,1H3,(H,15,18).
What are the key properties of 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103752814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).