2-(2-ethylhexyl)pyridine-3-carboxamide

C14H22N2O — CID 71001872

IUPAC2-(2-ethylhexyl)pyridine-3-carboxamide
SMILESCCCCC(CC)Cc1ncccc1C(N)=O
InChIInChI=1S/C14H22N2O/c1-3-5-7-11(4-2)10-13-12(14(15)17)8-6-9-16-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H2,15,17)
InChIKeyAWXRSKBDZFTMFO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds7

About 2-(2-ethylhexyl)pyridine-3-carboxamide

2-(2-ethylhexyl)pyridine-3-carboxamide (PubChem CID 71001872) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-ethylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-ethylhexyl)pyridine-3-carboxamide
PubChem CID71001872
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-ethylhexyl)pyridine-3-carboxamide
SMILESCCCCC(CC)Cc1ncccc1C(N)=O
InChIInChI=1S/C14H22N2O/c1-3-5-7-11(4-2)10-13-12(14(15)17)8-6-9-16-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H2,15,17)
InChIKeyAWXRSKBDZFTMFO-UHFFFAOYSA-N
XLogP2.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
2-(butylamino)pyridine-3-carboxamide
CID 29031037
3-ethyl-1-quinolin-5-ylheptan-1-one
CID 105082043
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
1-(2-chloro-3-pyridinyl)-2-ethylhexan-1-one
CID 91608208
2-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 154375550
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 140609649
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
CID 142680777
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-ethylhexyl)pyridine-3-carboxamide (CID 71001872) is 2-(2-ethylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-ethylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-ethylhexyl)pyridine-3-carboxamide is CCCCC(CC)Cc1ncccc1C(N)=O.
What is the InChIKey of 2-(2-ethylhexyl)pyridine-3-carboxamide?
The InChIKey is AWXRSKBDZFTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-7-11(4-2)10-13-12(14(15)17)8-6-9-16-13/h6,8-9,11H,3-5,7,10H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-ethylhexyl)pyridine-3-carboxamide?
2-(2-ethylhexyl)pyridine-3-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 71001872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).