N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride

C13H16Cl3N7O2 — CID 129009269

IUPACN-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.N/C(=N/NC(=O)c1cccnc1)NNC(=O)c1cccnc1
InChIInChI=1S/C13H13N7O2.3ClH/c14-13(19-17-11(21)9-3-1-5-15-7-9)20-18-12(22)10-4-2-6-16-8-10;;;/h1-8H,(H,17,21)(H,18,22)(H3,14,19,20);3*1H
InChIKeyUUECOXYPOYZLCE-UHFFFAOYSA-N
MW408.68 g/mol
LogP0.64
Rot. Bonds3

About N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride

N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride (PubChem CID 129009269) has the molecular formula C13H16Cl3N7O2 and a molecular weight of 408.68 g/mol. Its IUPAC name is N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride
PubChem CID129009269
Molecular FormulaC13H16Cl3N7O2
Molecular Weight408.68 g/mol
Exact Mass407.04
IUPAC NameN-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.N/C(=N/NC(=O)c1cccnc1)NNC(=O)c1cccnc1
InChIInChI=1S/C13H13N7O2.3ClH/c14-13(19-17-11(21)9-3-1-5-15-7-9)20-18-12(22)10-4-2-6-16-8-10;;;/h1-8H,(H,17,21)(H,18,22)(H3,14,19,20);3*1H
InChIKeyUUECOXYPOYZLCE-UHFFFAOYSA-N
XLogP0.64
TPSA134.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[amino-(2-benzoylhydrazinyl)methylidene]amino]benzamide
CID 154143836
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 5058601
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride (CID 129009269) is N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride is Cl.Cl.Cl.N/C(=N/NC(=O)c1cccnc1)NNC(=O)c1cccnc1.
What is the InChIKey of N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride?
The InChIKey is UUECOXYPOYZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2.3ClH/c14-13(19-17-11(21)9-3-1-5-15-7-9)20-18-12(22)10-4-2-6-16-8-10;;;/h1-8H,(H,17,21)(H,18,22)(H3,14,19,20);3*1H.
What are the key properties of N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride?
N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride has a molecular weight of 408.68 g/mol, XLogP of 0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 129009269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).