3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide

C9H11ClN2O3 — CID 171547824

IUPAC3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(Cl)c(C(=O)N(C)OC)n1
InChIInChI=1S/C9H11ClN2O3/c1-12(15-3)9(13)8-6(10)4-5-7(11-8)14-2/h4-5H,1-3H3
InChIKeyGXOBQJFFMBKACF-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.38
Rot. Bonds3

About 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide

3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide (PubChem CID 171547824) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
PubChem CID171547824
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(Cl)c(C(=O)N(C)OC)n1
InChIInChI=1S/C9H11ClN2O3/c1-12(15-3)9(13)8-6(10)4-5-7(11-8)14-2/h4-5H,1-3H3
InChIKeyGXOBQJFFMBKACF-UHFFFAOYSA-N
XLogP1.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide (CID 171547824) is 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide is COc1ccc(Cl)c(C(=O)N(C)OC)n1.
What is the InChIKey of 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide?
The InChIKey is GXOBQJFFMBKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-12(15-3)9(13)8-6(10)4-5-7(11-8)14-2/h4-5H,1-3H3.
What are the key properties of 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide?
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide has a molecular weight of 230.65 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171547824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).