5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide

C11H14BrN3O2 — CID 47339435

IUPAC5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1cncc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-3-14-10(16)7-15(2)11(17)8-4-9(12)6-13-5-8/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyMVTFKBOVMSEHEC-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.05
Rot. Bonds4

About 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide

5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide (PubChem CID 47339435) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
PubChem CID47339435
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1cncc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-3-14-10(16)7-15(2)11(17)8-4-9(12)6-13-5-8/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyMVTFKBOVMSEHEC-UHFFFAOYSA-N
XLogP1.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 104923944
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
3-(chloromethyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60948188
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide (CID 47339435) is 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide is CCNC(=O)CN(C)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MVTFKBOVMSEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-3-14-10(16)7-15(2)11(17)8-4-9(12)6-13-5-8/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide?
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 47339435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).