4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide

C18H20BrN3O2 — CID 112506372

IUPAC4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O2/c19-16-5-3-14(4-6-16)18(23)21-13-17(15-2-1-7-20-12-15)22-8-10-24-11-9-22/h1-7,12,17H,8-11,13H2,(H,21,23)
InChIKeyPSCBHINJTMUNOT-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.65
Rot. Bonds5

About 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide

4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide (PubChem CID 112506372) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
PubChem CID112506372
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O2/c19-16-5-3-14(4-6-16)18(23)21-13-17(15-2-1-7-20-12-15)22-8-10-24-11-9-22/h1-7,12,17H,8-11,13H2,(H,21,23)
InChIKeyPSCBHINJTMUNOT-UHFFFAOYSA-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

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 8010898
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 21007012
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
CID 99970306
4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
CID 126445573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide (CID 112506372) is 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide is O=C(NCC(c1cccnc1)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The InChIKey is PSCBHINJTMUNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c19-16-5-3-14(4-6-16)18(23)21-13-17(15-2-1-7-20-12-15)22-8-10-24-11-9-22/h1-7,12,17H,8-11,13H2,(H,21,23).
What are the key properties of 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide 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 4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 112506372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).