5-chloro-N-ethyl-N-methylpyridine-2-carboxamide

C9H11ClN2O — CID 126994087

IUPAC5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C9H11ClN2O/c1-3-12(2)9(13)8-5-4-7(10)6-11-8/h4-6H,3H2,1-2H3
InChIKeyHPBGEXYBNBTXCT-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.83
Rot. Bonds2

About 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide

5-chloro-N-ethyl-N-methylpyridine-2-carboxamide (PubChem CID 126994087) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
PubChem CID126994087
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(Cl)cn1
InChIInChI=1S/C9H11ClN2O/c1-3-12(2)9(13)8-5-4-7(10)6-11-8/h4-6H,3H2,1-2H3
InChIKeyHPBGEXYBNBTXCT-UHFFFAOYSA-N
XLogP1.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide (CID 126994087) is 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide is CCN(C)C(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide?
The InChIKey is HPBGEXYBNBTXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-3-12(2)9(13)8-5-4-7(10)6-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide?
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 126994087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).