N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide

C22H31N3O2 — CID 10361759

IUPACN-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(NCCCCCCCCCCCO)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H31N3O2/c26-17-11-7-5-3-1-2-4-6-9-16-24-22(27)19-13-14-21(25-18-19)20-12-8-10-15-23-20/h8,10,12-15,18,26H,1-7,9,11,16-17H2,(H,24,27)
InChIKeyGNHTWDBAFLAAMZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.38
Rot. Bonds13

About N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide

N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 10361759) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
PubChem CID10361759
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(NCCCCCCCCCCCO)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H31N3O2/c26-17-11-7-5-3-1-2-4-6-9-16-24-22(27)19-13-14-21(25-18-19)20-12-8-10-15-23-20/h8,10,12-15,18,26H,1-7,9,11,16-17H2,(H,24,27)
InChIKeyGNHTWDBAFLAAMZ-UHFFFAOYSA-N
XLogP4.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325
N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
CID 175378165
6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide
CID 102089949
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
CID 121494281
N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
N-(4-hydroxybutyl)pyridazine-4-carboxamide
CID 106843632
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
N-(4-oxobutyl)-4-pyridin-2-ylbenzamide
CID 86091874
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545

Frequently Asked Questions

What is the IUPAC name of N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide (CID 10361759) is N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide is O=C(NCCCCCCCCCCCO)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is GNHTWDBAFLAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-17-11-7-5-3-1-2-4-6-9-16-24-22(27)19-13-14-21(25-18-19)20-12-8-10-15-23-20/h8,10,12-15,18,26H,1-7,9,11,16-17H2,(H,24,27).
What are the key properties of N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide?
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.38, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 10361759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).