2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide

C10H12BrN3O2 — CID 103754952

IUPAC2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cccnc1Br
InChIInChI=1S/C10H12BrN3O2/c1-12-8(15)4-6-14-10(16)7-3-2-5-13-9(7)11/h2-3,5H,4,6H2,1H3,(H,12,15)(H,14,16)
InChIKeyOKUXLTANVOFILX-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.71
Rot. Bonds4

About 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide

2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 103754952) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
PubChem CID103754952
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cccnc1Br
InChIInChI=1S/C10H12BrN3O2/c1-12-8(15)4-6-14-10(16)7-3-2-5-13-9(7)11/h2-3,5H,4,6H2,1H3,(H,12,15)(H,14,16)
InChIKeyOKUXLTANVOFILX-UHFFFAOYSA-N
XLogP0.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.71
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

2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
CID 114036166
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide (CID 103754952) is 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide is CNC(=O)CCNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is OKUXLTANVOFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-12-8(15)4-6-14-10(16)7-3-2-5-13-9(7)11/h2-3,5H,4,6H2,1H3,(H,12,15)(H,14,16).
What are the key properties of 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 286.13 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 103754952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).