2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid

C12H16BrN3O4 — CID 90409213

IUPAC2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C12H16BrN3O4/c13-9-7-10(15-3-5-20-6-4-15)11(17)16(8-9)2-1-14-12(18)19/h7-8,14H,1-6H2,(H,18,19)
InChIKeyHAAKZWVXGZKDQC-UHFFFAOYSA-N
MW346.18 g/mol
LogP0.71
Rot. Bonds4

About 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid

2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid (PubChem CID 90409213) has the molecular formula C12H16BrN3O4 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid
PubChem CID90409213
Molecular FormulaC12H16BrN3O4
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(Br)cc(N2CCOCC2)c1=O
InChIInChI=1S/C12H16BrN3O4/c13-9-7-10(15-3-5-20-6-4-15)11(17)16(8-9)2-1-14-12(18)19/h7-8,14H,1-6H2,(H,18,19)
InChIKeyHAAKZWVXGZKDQC-UHFFFAOYSA-N
XLogP0.71
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(2-hydroxyethyl)-3-morpholinopyridin-2(1H)-one
CID 90408554
5-Bromo-3-morpholinopyridin-2-ol
CID 90409853
tert-butyl(2-(5-bromo-3-morpholino-2-oxopyridin-1(2H)-yl)ethyl)carbamate
CID 90442592
2-(5-Bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl-tert-butylcarbamic acid
CID 118870937
N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide
CID 164559863
2-(5-Bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethyl carbamate
CID 175152234
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 47035958
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 52246357
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 52246358
5-Amino-3-bromo-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one
CID 80501674
5-Amino-3-bromo-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 80501890
5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
CID 166124627

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid?
The IUPAC name of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid (CID 90409213) is 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid.
What is the SMILES notation for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid?
The canonical SMILES for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid is O=C(O)NCCn1cc(Br)cc(N2CCOCC2)c1=O.
What is the InChIKey of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid?
The InChIKey is HAAKZWVXGZKDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O4/c13-9-7-10(15-3-5-20-6-4-15)11(17)16(8-9)2-1-14-12(18)19/h7-8,14H,1-6H2,(H,18,19).
What are the key properties of 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid?
2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid has a molecular weight of 346.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-morpholin-4-yl-2-oxo-1-pyridinyl)ethylcarbamic acid is sourced from PubChem (CID 90409213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).