N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide

C13H20N2O2 — CID 111662354

IUPACN-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccncc1
InChIInChI=1S/C13H20N2O2/c1-2-3-11(6-9-16)10-15-13(17)12-4-7-14-8-5-12/h4-5,7-8,11,16H,2-3,6,9-10H2,1H3,(H,15,17)
InChIKeyJTJOERZROVGPPN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide

N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide (PubChem CID 111662354) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
PubChem CID111662354
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccncc1
InChIInChI=1S/C13H20N2O2/c1-2-3-11(6-9-16)10-15-13(17)12-4-7-14-8-5-12/h4-5,7-8,11,16H,2-3,6,9-10H2,1H3,(H,15,17)
InChIKeyJTJOERZROVGPPN-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-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
N-[2-(2-hydroxyethyl)pentyl]-3-pyridin-4-ylpropanamide
CID 103722641
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 111697336
3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide (CID 111662354) is N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide is CCCC(CCO)CNC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide?
The InChIKey is JTJOERZROVGPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-11(6-9-16)10-15-13(17)12-4-7-14-8-5-12/h4-5,7-8,11,16H,2-3,6,9-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 111662354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).