N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide

C16H22N4O2 — CID 84592772

IUPACN-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide
SMILESCN(C)CCOc1cc(C(=O)N(C)C2(C#N)CCC2)ccn1
InChIInChI=1S/C16H22N4O2/c1-19(2)9-10-22-14-11-13(5-8-18-14)15(21)20(3)16(12-17)6-4-7-16/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyAUHOFROVDCPLIZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.54
Rot. Bonds6

About N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide

N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide (PubChem CID 84592772) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide
PubChem CID84592772
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide
SMILESCN(C)CCOc1cc(C(=O)N(C)C2(C#N)CCC2)ccn1
InChIInChI=1S/C16H22N4O2/c1-19(2)9-10-22-14-11-13(5-8-18-14)15(21)20(3)16(12-17)6-4-7-16/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyAUHOFROVDCPLIZ-UHFFFAOYSA-N
XLogP1.54
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
N-(1-cyanocyclobutyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47793802
N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
CID 154752802
N-(1-cyanocyclobutyl)-N-methyl-4-methylsulfinylbenzamide
CID 47445665
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
3-bromo-N-(1-cyanocyclohexyl)-4-fluoro-N-methylbenzamide
CID 107951776
2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
N-(1-cyanocyclobutyl)-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 47793680
N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 166384186
[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 84599756
N-(1-cyanocyclobutyl)-N,2-dimethyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 47793828
N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide
CID 25496922

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide (CID 84592772) is N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide is CN(C)CCOc1cc(C(=O)N(C)C2(C#N)CCC2)ccn1.
What is the InChIKey of N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide?
The InChIKey is AUHOFROVDCPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19(2)9-10-22-14-11-13(5-8-18-14)15(21)20(3)16(12-17)6-4-7-16/h5,8,11H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide?
N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 84592772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).