N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide

C13H10Cl2N4O — CID 56934035

IUPACN'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1ccc(Cl)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H10Cl2N4O/c14-11-2-1-10(7-12(11)15)17-8-18-19-13(20)9-3-5-16-6-4-9/h1-8H,(H,17,18)(H,19,20)
InChIKeyITPZQBQPDMYVBX-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.98
Rot. Bonds4

About N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide

N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56934035) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56934035
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1ccc(Cl)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H10Cl2N4O/c14-11-2-1-10(7-12(11)15)17-8-18-19-13(20)9-3-5-16-6-4-9/h1-8H,(H,17,18)(H,19,20)
InChIKeyITPZQBQPDMYVBX-UHFFFAOYSA-N
XLogP2.98
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-Dichlorophenyl)-3-pyridinecarboxamide
CID 668892
N-(4-Chlorophenyl)isonicotinamide
CID 571578
2-Chloropyridine-4-carbohydrazide
CID 236206
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyridine-4-carbohydrazide
CID 965557
N-(3-chlorophenyl)pyridine-4-carboxamide
CID 719348
3,4-dichloro-N'-isonicotinoylbenzohydrazide
CID 818492
N-(3,4-dichlorophenyl)pyridine-4-carboxamide
CID 835563
2-[2-(4-Chlorophenyl)hydrazono]-3-oxo-3-(4-pyridinyl)propanal hydrazone
CID 9635449
(E)-N-(3-fluorophenyl)-N'-isonicotinoylformohydrazonamide
CID 56934030
(E)-N-(4-fluorophenyl)-N'-isonicotinoylformohydrazonamide
CID 56934031
N-[(E)-(3-chloroanilino)methyleneamino]pyridine-4-carboxamide
CID 56934032
N-[(E)-(3-chloro-4-fluoro-anilino)methyleneamino]pyridine-4-carboxamide
CID 56934173

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56934035) is N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide is O=C(NN/C=N/c1ccc(Cl)c(Cl)c1)c1ccncc1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is ITPZQBQPDMYVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c14-11-2-1-10(7-12(11)15)17-8-18-19-13(20)9-3-5-16-6-4-9/h1-8H,(H,17,18)(H,19,20).
What are the key properties of N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide has a molecular weight of 309.16 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56934035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).