2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

C9H12ClN5O2 — CID 62241576

IUPAC2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C9H12ClN5O2/c1-12-8(16)4-13-9(17)5-2-6(10)14-7(3-5)15-11/h2-3H,4,11H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyGQCAVBGDLUTQBV-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.50
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 62241576) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID62241576
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C9H12ClN5O2/c1-12-8(16)4-13-9(17)5-2-6(10)14-7(3-5)15-11/h2-3H,4,11H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyGQCAVBGDLUTQBV-UHFFFAOYSA-N
XLogP-0.50
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.50
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

2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286
2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113381191
2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
CID 114167737
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-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62242208
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 62241576) is 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is CNC(=O)CNC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is GQCAVBGDLUTQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-12-8(16)4-13-9(17)5-2-6(10)14-7(3-5)15-11/h2-3H,4,11H2,1H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 257.68 g/mol, XLogP of -0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62241576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).