N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide

C10H12Cl2N4O2 — CID 86576807

IUPACN-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12Cl2N4O2/c1-16(2)10(18)13-5-8(17)14-6-3-4-7(11)15-9(6)12/h3-4H,5H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyZIYFPXNRBRZWPR-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.60
Rot. Bonds3

About N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide

N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide (PubChem CID 86576807) has the molecular formula C10H12Cl2N4O2 and a molecular weight of 291.14 g/mol. Its IUPAC name is N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide
PubChem CID86576807
Molecular FormulaC10H12Cl2N4O2
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC NameN-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)Nc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12Cl2N4O2/c1-16(2)10(18)13-5-8(17)14-6-3-4-7(11)15-9(6)12/h3-4H,5H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyZIYFPXNRBRZWPR-UHFFFAOYSA-N
XLogP1.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide?
The IUPAC name of N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide (CID 86576807) is N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide?
The canonical SMILES for N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide is CN(C)C(=O)NCC(=O)Nc1ccc(Cl)nc1Cl.
What is the InChIKey of N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide?
The InChIKey is ZIYFPXNRBRZWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O2/c1-16(2)10(18)13-5-8(17)14-6-3-4-7(11)15-9(6)12/h3-4H,5H2,1-2H3,(H,13,18)(H,14,17).
What are the key properties of N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide?
N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide has a molecular weight of 291.14 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-pyridinyl)-2-(dimethylcarbamoylamino)acetamide is sourced from PubChem (CID 86576807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).