6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide

C12H19N3O3 — CID 55023997

IUPAC6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCOCCO)cn1
InChIInChI=1S/C12H19N3O3/c1-15(2)11-4-3-10(9-14-11)12(17)13-5-7-18-8-6-16/h3-4,9,16H,5-8H2,1-2H3,(H,13,17)
InChIKeyROKACRJCAHUVSF-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.11
Rot. Bonds7

About 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 55023997) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
PubChem CID55023997
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCOCCO)cn1
InChIInChI=1S/C12H19N3O3/c1-15(2)11-4-3-10(9-14-11)12(17)13-5-7-18-8-6-16/h3-4,9,16H,5-8H2,1-2H3,(H,13,17)
InChIKeyROKACRJCAHUVSF-UHFFFAOYSA-N
XLogP-0.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[tert-butyl-(carboxyamino)amino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 118560108
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 61343893
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide (CID 55023997) is 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCCOCCO)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is ROKACRJCAHUVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(2)11-4-3-10(9-14-11)12(17)13-5-7-18-8-6-16/h3-4,9,16H,5-8H2,1-2H3,(H,13,17).
What are the key properties of 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55023997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).