2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide

C12H16BrN3O2 — CID 103752009

IUPAC2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-12(2,3)16-10(17)7-15-11(18)8-4-5-14-9(13)6-8/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyMVNWLWRSYGPNLP-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.49
Rot. Bonds3

About 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide

2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 103752009) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID103752009
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C12H16BrN3O2/c1-12(2,3)16-10(17)7-15-11(18)8-4-5-14-9(13)6-8/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyMVNWLWRSYGPNLP-UHFFFAOYSA-N
XLogP1.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.49
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-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 113255247
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 113278377
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
2-bromo-N-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 103755270
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 103752009) is 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is MVNWLWRSYGPNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-12(2,3)16-10(17)7-15-11(18)8-4-5-14-9(13)6-8/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide?
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).