3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide

C13H12Cl2N4 — CID 172938156

IUPAC3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide
SMILESCc1ccc(N/N=C(\N)c2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C13H12Cl2N4/c1-8-2-4-9(5-3-8)18-19-13(16)12-10(14)6-17-7-11(12)15/h2-7,18H,1H3,(H2,16,19)
InChIKeyWGPDDESTWLVJAK-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.43
Rot. Bonds3

About 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide

3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide (PubChem CID 172938156) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide
PubChem CID172938156
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide
SMILESCc1ccc(N/N=C(\N)c2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C13H12Cl2N4/c1-8-2-4-9(5-3-8)18-19-13(16)12-10(14)6-17-7-11(12)15/h2-7,18H,1H3,(H2,16,19)
InChIKeyWGPDDESTWLVJAK-UHFFFAOYSA-N
XLogP3.43
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide?
The IUPAC name of 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide (CID 172938156) is 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide.
What is the SMILES notation for 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide?
The canonical SMILES for 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide is Cc1ccc(N/N=C(\N)c2c(Cl)cncc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide?
The InChIKey is WGPDDESTWLVJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-8-2-4-9(5-3-8)18-19-13(16)12-10(14)6-17-7-11(12)15/h2-7,18H,1H3,(H2,16,19).
What are the key properties of 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide?
3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide has a molecular weight of 295.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-(4-methylanilino)pyridine-4-carboximidamide is sourced from PubChem (CID 172938156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).