6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide

C12H18N4O3 — CID 106239261

IUPAC6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCOCC(N)=O)nc1
InChIInChI=1S/C12H18N4O3/c1-16(2)12(18)9-3-4-11(15-7-9)14-5-6-19-8-10(13)17/h3-4,7H,5-6,8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyHTPRDAUGQMMJBP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.30
Rot. Bonds7

About 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide

6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 106239261) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID106239261
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCOCC(N)=O)nc1
InChIInChI=1S/C12H18N4O3/c1-16(2)12(18)9-3-4-11(15-7-9)14-5-6-19-8-10(13)17/h3-4,7H,5-6,8H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyHTPRDAUGQMMJBP-UHFFFAOYSA-N
XLogP-0.30
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.30
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

N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
CID 114468121
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 111435885
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
3-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83120944
N,N-dimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133323231
N,N-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 79829668

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide (CID 106239261) is 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCCOCC(N)=O)nc1.
What is the InChIKey of 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is HTPRDAUGQMMJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(2)12(18)9-3-4-11(15-7-9)14-5-6-19-8-10(13)17/h3-4,7H,5-6,8H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 106239261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).