4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide

C13H19BrN4O2 — CID 103518402

IUPAC4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1c(N)cncc1Br
InChIInChI=1S/C13H19BrN4O2/c1-8(2)17-13(19)11-7-20-4-3-18(11)12-9(14)5-16-6-10(12)15/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,17,19)
InChIKeyAJTVUUFNHAUSEZ-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.16
Rot. Bonds3

About 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 103518402) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID103518402
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1c(N)cncc1Br
InChIInChI=1S/C13H19BrN4O2/c1-8(2)17-13(19)11-7-20-4-3-18(11)12-9(14)5-16-6-10(12)15/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,17,19)
InChIKeyAJTVUUFNHAUSEZ-UHFFFAOYSA-N
XLogP1.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 103518401
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105110
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83104655
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 103518402) is 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1c1c(N)cncc1Br.
What is the InChIKey of 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is AJTVUUFNHAUSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-8(2)17-13(19)11-7-20-4-3-18(11)12-9(14)5-16-6-10(12)15/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.16, 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-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 103518402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).