5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide

C13H20BrN5O2 — CID 114401197

IUPAC5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCN1CCOC(CNC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C13H20BrN5O2/c1-2-19-3-4-21-10(8-19)7-17-13(20)11-5-9(14)6-16-12(11)18-15/h5-6,10H,2-4,7-8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyRYPYEZWTXSQXKC-UHFFFAOYSA-N
MW358.24 g/mol
LogP0.58
Rot. Bonds5

About 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide (PubChem CID 114401197) has the molecular formula C13H20BrN5O2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
PubChem CID114401197
Molecular FormulaC13H20BrN5O2
Molecular Weight358.24 g/mol
Exact Mass357.08
IUPAC Name5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCN1CCOC(CNC(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C13H20BrN5O2/c1-2-19-3-4-21-10(8-19)7-17-13(20)11-5-9(14)6-16-12(11)18-15/h5-6,10H,2-4,7-8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyRYPYEZWTXSQXKC-UHFFFAOYSA-N
XLogP0.58
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62237445
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62238368
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924792
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115667178
N-[(4-ethylmorpholin-2-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 114401189
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide (CID 114401197) is 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide is CCN1CCOC(CNC(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is RYPYEZWTXSQXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O2/c1-2-19-3-4-21-10(8-19)7-17-13(20)11-5-9(14)6-16-12(11)18-15/h5-6,10H,2-4,7-8,15H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 114401197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).