N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

C11H16ClN5O2 — CID 114162817

IUPACN-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C11H16ClN5O2/c12-8-5-7(6-10(16-8)17-14)11(19)15-4-2-1-3-9(13)18/h5-6H,1-4,14H2,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyXWHSXOLZTCEFOQ-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.41
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (PubChem CID 114162817) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
PubChem CID114162817
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC NameN-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C11H16ClN5O2/c12-8-5-7(6-10(16-8)17-14)11(19)15-4-2-1-3-9(13)18/h5-6H,1-4,14H2,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyXWHSXOLZTCEFOQ-UHFFFAOYSA-N
XLogP0.41
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
N-(5-amino-5-oxopentyl)-2-hydrazinyl-6-propan-2-ylpyridine-4-carboxamide
CID 106241285
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 62242563
2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (CID 114162817) is N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is NNc1cc(C(=O)NCCCCC(N)=O)cc(Cl)n1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is XWHSXOLZTCEFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c12-8-5-7(6-10(16-8)17-14)11(19)15-4-2-1-3-9(13)18/h5-6H,1-4,14H2,(H2,13,18)(H,15,19)(H,16,17).
What are the key properties of N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 114162817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).