6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide

C13H10Cl3N3O — CID 68680505

IUPAC6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N)c(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C13H10Cl3N3O/c1-18-13(20)6-2-9(12(17)19-5-6)8-3-7(14)4-10(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKeyDIFLLTOFIQIMEY-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.65
Rot. Bonds2

About 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide

6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide (PubChem CID 68680505) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide
PubChem CID68680505
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N)c(-c2cc(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C13H10Cl3N3O/c1-18-13(20)6-2-9(12(17)19-5-6)8-3-7(14)4-10(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKeyDIFLLTOFIQIMEY-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide (CID 68680505) is 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide is CNC(=O)c1cnc(N)c(-c2cc(Cl)cc(Cl)c2Cl)c1.
What is the InChIKey of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide?
The InChIKey is DIFLLTOFIQIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c1-18-13(20)6-2-9(12(17)19-5-6)8-3-7(14)4-10(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide?
6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide has a molecular weight of 330.60 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 68680505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).