3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide

C14H14Cl2N4O — CID 43101626

IUPAC3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
SMILESN/C(CCN(c1ccccc1)c1ncc(Cl)cc1Cl)=N\O
InChIInChI=1S/C14H14Cl2N4O/c15-10-8-12(16)14(18-9-10)20(7-6-13(17)19-21)11-4-2-1-3-5-11/h1-5,8-9,21H,6-7H2,(H2,17,19)
InChIKeyPTJRQVLBCFJIRG-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.66
Rot. Bonds5

About 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide

3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide (PubChem CID 43101626) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
PubChem CID43101626
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
SMILESN/C(CCN(c1ccccc1)c1ncc(Cl)cc1Cl)=N\O
InChIInChI=1S/C14H14Cl2N4O/c15-10-8-12(16)14(18-9-10)20(7-6-13(17)19-21)11-4-2-1-3-5-11/h1-5,8-9,21H,6-7H2,(H2,17,19)
InChIKeyPTJRQVLBCFJIRG-UHFFFAOYSA-N
XLogP3.66
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide (CID 43101626) is 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide is N/C(CCN(c1ccccc1)c1ncc(Cl)cc1Cl)=N\O.
What is the InChIKey of 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide?
The InChIKey is PTJRQVLBCFJIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c15-10-8-12(16)14(18-9-10)20(7-6-13(17)19-21)11-4-2-1-3-5-11/h1-5,8-9,21H,6-7H2,(H2,17,19).
What are the key properties of 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide?
3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide has a molecular weight of 325.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 43101626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).