3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide

C12H14BrN3O3 — CID 166178525

IUPAC3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ncccc1Br
InChIInChI=1S/C12H14BrN3O3/c13-9-2-1-3-14-11(9)12(18)15-8-10(17)16-4-6-19-7-5-16/h1-3H,4-8H2,(H,15,18)
InChIKeyFTJKGMHMKWRZNI-UHFFFAOYSA-N
MW328.17 g/mol
LogP0.43
Rot. Bonds3

About 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide

3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide (PubChem CID 166178525) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
PubChem CID166178525
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1ncccc1Br
InChIInChI=1S/C12H14BrN3O3/c13-9-2-1-3-14-11(9)12(18)15-8-10(17)16-4-6-19-7-5-16/h1-3H,4-8H2,(H,15,18)
InChIKeyFTJKGMHMKWRZNI-UHFFFAOYSA-N
XLogP0.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 107519294
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CID 107517564
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
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N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide
CID 146086530
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide (CID 166178525) is 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide is O=C(NCC(=O)N1CCOCC1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide?
The InChIKey is FTJKGMHMKWRZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-9-2-1-3-14-11(9)12(18)15-8-10(17)16-4-6-19-7-5-16/h1-3H,4-8H2,(H,15,18).
What are the key properties of 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide?
3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166178525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).