N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide

C10H13Cl2N3 — CID 59991426

IUPACN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide
SMILESCC/C(=N\C)NCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H13Cl2N3/c1-3-10(13-2)14-6-7-4-8(11)15-9(12)5-7/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyGECHTUGUFHSAFM-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.92
Rot. Bonds3

About N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide

N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide (PubChem CID 59991426) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide
PubChem CID59991426
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC NameN-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide
SMILESCC/C(=N\C)NCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H13Cl2N3/c1-3-10(13-2)14-6-7-4-8(11)15-9(12)5-7/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyGECHTUGUFHSAFM-UHFFFAOYSA-N
XLogP2.92
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide?
The IUPAC name of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide (CID 59991426) is N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide.
What is the SMILES notation for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide?
The canonical SMILES for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide is CC/C(=N\C)NCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide?
The InChIKey is GECHTUGUFHSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c1-3-10(13-2)14-6-7-4-8(11)15-9(12)5-7/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide?
N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide has a molecular weight of 246.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-4-pyridinyl)methyl]-N'-methylpropanimidamide is sourced from PubChem (CID 59991426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).