methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate

C18H18BrN3O4 — CID 50994508

IUPACmethyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1cc(Br)cc(C(=O)c2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C18H18BrN3O4/c1-25-18(24)21-15-9-13(8-14(19)11-15)17(23)12-2-3-20-16(10-12)22-4-6-26-7-5-22/h2-3,8-11H,4-7H2,1H3,(H,21,24)
InChIKeyRHFQMWMKRHDJRF-UHFFFAOYSA-N
MW420.26 g/mol
LogP3.09
Rot. Bonds4

About methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate

methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate (PubChem CID 50994508) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate
PubChem CID50994508
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Namemethyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1cc(Br)cc(C(=O)c2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C18H18BrN3O4/c1-25-18(24)21-15-9-13(8-14(19)11-15)17(23)12-2-3-20-16(10-12)22-4-6-26-7-5-22/h2-3,8-11H,4-7H2,1H3,(H,21,24)
InChIKeyRHFQMWMKRHDJRF-UHFFFAOYSA-N
XLogP3.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
CID 69240235
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168993
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
methyl N-[3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-(trifluoromethyl)phenyl]carbamate
CID 167841855

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate?
The IUPAC name of methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate (CID 50994508) is methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate is COC(=O)Nc1cc(Br)cc(C(=O)c2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate?
The InChIKey is RHFQMWMKRHDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c1-25-18(24)21-15-9-13(8-14(19)11-15)17(23)12-2-3-20-16(10-12)22-4-6-26-7-5-22/h2-3,8-11H,4-7H2,1H3,(H,21,24).
What are the key properties of methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate?
methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate has a molecular weight of 420.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate is sourced from PubChem (CID 50994508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).