4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide

C14H20BrN3O2 — CID 105368068

IUPAC4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ncc(C)cc1Br
InChIInChI=1S/C14H20BrN3O2/c1-3-4-16-14(19)12-9-20-6-5-18(12)13-11(15)7-10(2)8-17-13/h7-8,12H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyBNZCFFJSUCDVRD-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.88
Rot. Bonds4

About 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide

4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide (PubChem CID 105368068) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
PubChem CID105368068
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ncc(C)cc1Br
InChIInChI=1S/C14H20BrN3O2/c1-3-4-16-14(19)12-9-20-6-5-18(12)13-11(15)7-10(2)8-17-13/h7-8,12H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyBNZCFFJSUCDVRD-UHFFFAOYSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-ethylmorpholine-3-carboxamide
CID 83105980
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide (CID 105368068) is 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1ncc(C)cc1Br.
What is the InChIKey of 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is BNZCFFJSUCDVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-4-16-14(19)12-9-20-6-5-18(12)13-11(15)7-10(2)8-17-13/h7-8,12H,3-6,9H2,1-2H3,(H,16,19).
What are the key properties of 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 105368068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).