N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide

C13H20N2O2 — CID 103722744

IUPACN-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-2-4-11(6-8-16)9-15-13(17)12-5-3-7-14-10-12/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,15,17)
InChIKeyDHGXMLAJMZOUIQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide

N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide (PubChem CID 103722744) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
PubChem CID103722744
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-2-4-11(6-8-16)9-15-13(17)12-5-3-7-14-10-12/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,15,17)
InChIKeyDHGXMLAJMZOUIQ-UHFFFAOYSA-N
XLogP1.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 111662226
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide (CID 103722744) is N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide is CCCC(CCO)CNC(=O)c1cccnc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide?
The InChIKey is DHGXMLAJMZOUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-4-11(6-8-16)9-15-13(17)12-5-3-7-14-10-12/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide is sourced from PubChem (CID 103722744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).