3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide

C15H16N4O — CID 133318102

IUPAC3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cc(C#N)nc2ccccc12)C(N)=O
InChIInChI=1S/C15H16N4O/c1-15(2,14(17)20)9-18-13-7-10(8-16)19-12-6-4-3-5-11(12)13/h3-7H,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyBKSDOLQEVSXYOI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds4

About 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide

3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 133318102) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID133318102
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1cc(C#N)nc2ccccc12)C(N)=O
InChIInChI=1S/C15H16N4O/c1-15(2,14(17)20)9-18-13-7-10(8-16)19-12-6-4-3-5-11(12)13/h3-7H,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyBKSDOLQEVSXYOI-UHFFFAOYSA-N
XLogP2.03
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133321544
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
CID 133352700
3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 133329971
4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
4-(4-hydroxy-3-methylanilino)quinoline-2-carbonitrile
CID 146507150
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile
CID 133319575
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 133310166

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide (CID 133318102) is 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1cc(C#N)nc2ccccc12)C(N)=O.
What is the InChIKey of 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is BKSDOLQEVSXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-15(2,14(17)20)9-18-13-7-10(8-16)19-12-6-4-3-5-11(12)13/h3-7H,9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 133318102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).