2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide

C12H16BrN3O2 — CID 113278377

IUPAC2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-12(2,11(18)14-3)7-16-10(17)8-4-5-15-9(13)6-8/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZWRBJPWNICLGRI-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.35
Rot. Bonds4

About 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide

2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 113278377) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
PubChem CID113278377
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-12(2,11(18)14-3)7-16-10(17)8-4-5-15-9(13)6-8/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZWRBJPWNICLGRI-UHFFFAOYSA-N
XLogP1.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.35
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-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 113255247
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-methyl-4-(methylamino)benzamide
CID 106280162
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 106276798
2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106278672
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106279641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (CID 113278377) is 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is CNC(=O)C(C)(C)CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is ZWRBJPWNICLGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-12(2,11(18)14-3)7-16-10(17)8-4-5-15-9(13)6-8/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 113278377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).