4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide

C13H17BrN4O2 — CID 103518401

IUPAC4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1cncc(Br)c1N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H17BrN4O2/c14-9-5-16-6-10(15)12(9)18-3-4-20-7-11(18)13(19)17-8-1-2-8/h5-6,8,11H,1-4,7,15H2,(H,17,19)
InChIKeyNBTHVUYVZVCSOV-UHFFFAOYSA-N
MW341.21 g/mol
LogP0.91
Rot. Bonds3

About 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide

4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 103518401) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID103518401
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1cncc(Br)c1N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H17BrN4O2/c14-9-5-16-6-10(15)12(9)18-3-4-20-7-11(18)13(19)17-8-1-2-8/h5-6,8,11H,1-4,7,15H2,(H,17,19)
InChIKeyNBTHVUYVZVCSOV-UHFFFAOYSA-N
XLogP0.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
4-(3-amino-5-bromo-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83107189
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
4-(4-amino-5-methyl-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83265563
N-cyclopropyl-4-(6-hydrazinylpyrazin-2-yl)morpholine-3-carboxamide
CID 83105115
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
CID 106529367
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide (CID 103518401) is 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide is Nc1cncc(Br)c1N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is NBTHVUYVZVCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-9-5-16-6-10(15)12(9)18-3-4-20-7-11(18)13(19)17-8-1-2-8/h5-6,8,11H,1-4,7,15H2,(H,17,19).
What are the key properties of 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 103518401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).