N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide

C14H22N2O — CID 2165504

IUPACN-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)c1cccnc1
InChIInChI=1S/C14H22N2O/c1-3-5-7-12(4-2)10-16-14(17)13-8-6-9-15-11-13/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyLAMZDBBLBQNWLV-LBPRGKRZSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds7

About N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide

N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide (PubChem CID 2165504) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
PubChem CID2165504
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)c1cccnc1
InChIInChI=1S/C14H22N2O/c1-3-5-7-12(4-2)10-16-14(17)13-8-6-9-15-11-13/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyLAMZDBBLBQNWLV-LBPRGKRZSA-N
XLogP3.03
TPSA41.99 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-[2-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111891665
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide (CID 2165504) is N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide is CCCC[C@H](CC)CNC(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide?
The InChIKey is LAMZDBBLBQNWLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-7-12(4-2)10-16-14(17)13-8-6-9-15-11-13/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide?
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide is sourced from PubChem (CID 2165504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).