N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

C8H10ClN5O2 — CID 62248286

IUPACN-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC(N)=O)cc(Cl)n1
InChIInChI=1S/C8H10ClN5O2/c9-5-1-4(2-7(13-5)14-11)8(16)12-3-6(10)15/h1-2H,3,11H2,(H2,10,15)(H,12,16)(H,13,14)
InChIKeyHJBQPMQENXCGPM-UHFFFAOYSA-N
MW243.65 g/mol
LogP-0.76
Rot. Bonds4

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

N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (PubChem CID 62248286) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
PubChem CID62248286
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC NameN-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCC(N)=O)cc(Cl)n1
InChIInChI=1S/C8H10ClN5O2/c9-5-1-4(2-7(13-5)14-11)8(16)12-3-6(10)15/h1-2H,3,11H2,(H2,10,15)(H,12,16)(H,13,14)
InChIKeyHJBQPMQENXCGPM-UHFFFAOYSA-N
XLogP-0.76
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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
2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 62241576
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
CID 114167737
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (CID 62248286) is N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is NNc1cc(C(=O)NCC(N)=O)cc(Cl)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is HJBQPMQENXCGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c9-5-1-4(2-7(13-5)14-11)8(16)12-3-6(10)15/h1-2H,3,11H2,(H2,10,15)(H,12,16)(H,13,14).
What are the key properties of N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 243.65 g/mol, XLogP of -0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 62248286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).