3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide

C11H13ClN6O — CID 64516802

IUPAC3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C11H13ClN6O/c1-18(6-9-14-4-5-15-9)11(19)10-7(12)2-3-8(16-10)17-13/h2-5H,6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyOZKXYXXWLMEKLN-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.02
Rot. Bonds4

About 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 64516802) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID64516802
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C11H13ClN6O/c1-18(6-9-14-4-5-15-9)11(19)10-7(12)2-3-8(16-10)17-13/h2-5H,6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyOZKXYXXWLMEKLN-UHFFFAOYSA-N
XLogP1.02
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-chloro-6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518545
3-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 62235495
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
3-chloro-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62241888
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
3-chloro-N-(2,2-dimethylpropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243844
N-[(2-bromophenyl)methyl]-3-chloro-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62247706
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide (CID 64516802) is 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is OZKXYXXWLMEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-18(6-9-14-4-5-15-9)11(19)10-7(12)2-3-8(16-10)17-13/h2-5H,6,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 64516802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).