6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide

C13H11Cl2N3O — CID 122181197

IUPAC6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)c(N)n1
InChIInChI=1S/C13H11Cl2N3O/c1-17-13(19)11-5-3-8(12(16)18-11)9-6-7(14)2-4-10(9)15/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyWFPQNYAVINGECJ-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.00
Rot. Bonds2

About 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide

6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 122181197) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID122181197
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)c(N)n1
InChIInChI=1S/C13H11Cl2N3O/c1-17-13(19)11-5-3-8(12(16)18-11)9-6-7(14)2-4-10(9)15/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyWFPQNYAVINGECJ-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide (CID 122181197) is 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)c(N)n1.
What is the InChIKey of 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is WFPQNYAVINGECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-17-13(19)11-5-3-8(12(16)18-11)9-6-7(14)2-4-10(9)15/h2-6H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide?
6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,5-dichlorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122181197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).