N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide

C8H12N2O2 — CID 142921037

IUPACN-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide
SMILESO=C(NCCO)C1=CC=CNC1
InChIInChI=1S/C8H12N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,9,11H,4-6H2,(H,10,12)
InChIKeyBAJLHZKIYYQCED-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.86
Rot. Bonds3

About N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide

N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide (PubChem CID 142921037) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide
PubChem CID142921037
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide
SMILESO=C(NCCO)C1=CC=CNC1
InChIInChI=1S/C8H12N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,9,11H,4-6H2,(H,10,12)
InChIKeyBAJLHZKIYYQCED-UHFFFAOYSA-N
XLogP-0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43394531
3,3,3-trifluoro-N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)propanamide
CID 90625039
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
CID 103723386
3-(2-oxo-1-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726196
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-4-carboxamide
CID 103766245
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103770044
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 103770256
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103770265
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103915425
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915666
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 104862893
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 108105664

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide (CID 142921037) is N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide is O=C(NCCO)C1=CC=CNC1.
What is the InChIKey of N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide?
The InChIKey is BAJLHZKIYYQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,9,11H,4-6H2,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide?
N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 142921037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).