N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide

C14H22N2O — CID 87011265

IUPACN-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(C)nc1C
InChIInChI=1S/C14H22N2O/c1-5-7-10-16(6-2)14(17)13-9-8-11(3)15-12(13)4/h8-9H,5-7,10H2,1-4H3
InChIKeyHLUGVFJPUHVZPD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.96
Rot. Bonds5

About N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide

N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide (PubChem CID 87011265) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide
PubChem CID87011265
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(C)nc1C
InChIInChI=1S/C14H22N2O/c1-5-7-10-16(6-2)14(17)13-9-8-11(3)15-12(13)4/h8-9H,5-7,10H2,1-4H3
InChIKeyHLUGVFJPUHVZPD-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide (CID 87011265) is N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide is CCCCN(CC)C(=O)c1ccc(C)nc1C.
What is the InChIKey of N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is HLUGVFJPUHVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-7-10-16(6-2)14(17)13-9-8-11(3)15-12(13)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide?
N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 87011265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).