2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

C12H15ClN6O — CID 62242563

IUPAC2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCCn2ccnc2)cc(Cl)n1
InChIInChI=1S/C12H15ClN6O/c13-10-6-9(7-11(17-10)18-14)12(20)16-2-1-4-19-5-3-15-8-19/h3,5-8H,1-2,4,14H2,(H,16,20)(H,17,18)
InChIKeyIHBFYMKVKYRMTG-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.04
Rot. Bonds6

About 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 62242563) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID62242563
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESNNc1cc(C(=O)NCCCn2ccnc2)cc(Cl)n1
InChIInChI=1S/C12H15ClN6O/c13-10-6-9(7-11(17-10)18-14)12(20)16-2-1-4-19-5-3-15-8-19/h3,5-8H,1-2,4,14H2,(H,16,20)(H,17,18)
InChIKeyIHBFYMKVKYRMTG-UHFFFAOYSA-N
XLogP1.04
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (CID 62242563) is 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is NNc1cc(C(=O)NCCCn2ccnc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is IHBFYMKVKYRMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-6-9(7-11(17-10)18-14)12(20)16-2-1-4-19-5-3-15-8-19/h3,5-8H,1-2,4,14H2,(H,16,20)(H,17,18).
What are the key properties of 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 294.75 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 62242563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).