5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide

C18H20BrN3O2 — CID 9148597

IUPAC5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C18H20BrN3O2/c19-16-10-15(11-20-12-16)18(23)21-17(14-4-2-1-3-5-14)13-22-6-8-24-9-7-22/h1-5,10-12,17H,6-9,13H2,(H,21,23)/t17-/m0/s1
InChIKeyJLKWJGBQQHWAFW-KRWDZBQOSA-N
MW390.28 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide

5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 9148597) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
PubChem CID9148597
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C18H20BrN3O2/c19-16-10-15(11-20-12-16)18(23)21-17(14-4-2-1-3-5-14)13-22-6-8-24-9-7-22/h1-5,10-12,17H,6-9,13H2,(H,21,23)/t17-/m0/s1
InChIKeyJLKWJGBQQHWAFW-KRWDZBQOSA-N
XLogP2.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
CID 27853245
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide (CID 9148597) is 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide is O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is JLKWJGBQQHWAFW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c19-16-10-15(11-20-12-16)18(23)21-17(14-4-2-1-3-5-14)13-22-6-8-24-9-7-22/h1-5,10-12,17H,6-9,13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide?
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 390.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 9148597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).