N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide

C16H18N4O — CID 79834245

IUPACN-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H18N4O/c1-16(2,3)20-14(21)10-18-15-12(9-17)8-11-6-4-5-7-13(11)19-15/h4-8H,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBANBZPGRJHRVMP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds3

About N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide

N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide (PubChem CID 79834245) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
PubChem CID79834245
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H18N4O/c1-16(2,3)20-14(21)10-18-15-12(9-17)8-11-6-4-5-7-13(11)19-15/h4-8H,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBANBZPGRJHRVMP-UHFFFAOYSA-N
XLogP2.43
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
CID 103736444
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
CID 107107106
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide (CID 79834245) is N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc2ccccc2cc1C#N.
What is the InChIKey of N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide?
The InChIKey is BANBZPGRJHRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(2,3)20-14(21)10-18-15-12(9-17)8-11-6-4-5-7-13(11)19-15/h4-8H,10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide?
N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide has a molecular weight of 282.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide is sourced from PubChem (CID 79834245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).