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

C9H11ClN2O3 — CID 129138511

IUPAC2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)OC)c(Cl)n1
InChIInChI=1S/C9H11ClN2O3/c1-12(15-3)9(13)6-4-5-7(14-2)11-8(6)10/h4-5H,1-3H3
InChIKeySBQLGDWAOAKGGM-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.38
Rot. Bonds3

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

2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide (PubChem CID 129138511) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide
PubChem CID129138511
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)OC)c(Cl)n1
InChIInChI=1S/C9H11ClN2O3/c1-12(15-3)9(13)6-4-5-7(14-2)11-8(6)10/h4-5H,1-3H3
InChIKeySBQLGDWAOAKGGM-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methoxy-N,6-dimethylpyridine-3-carboxamide
CID 53416990
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
CID 119054669
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
2-[(2-chloro-6-methoxypyridine-3-carbonyl)-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 167917316
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
CID 71300148
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
2-chloro-6-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 134442112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide (CID 129138511) is 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide is COc1ccc(C(=O)N(C)OC)c(Cl)n1.
What is the InChIKey of 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide?
The InChIKey is SBQLGDWAOAKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-12(15-3)9(13)6-4-5-7(14-2)11-8(6)10/h4-5H,1-3H3.
What are the key properties of 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide?
2-chloro-N,6-dimethoxy-N-methylpyridine-3-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 2-chloro-N,6-dimethoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 129138511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).