3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide

C24H30N4O — CID 53238006

IUPAC3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(Cc1cc2cc(-c3ccccn3)ccc2nc1N)C(=O)NCCC(C)(C)C
InChIInChI=1S/C24H30N4O/c1-16(23(29)27-12-10-24(2,3)4)13-19-15-18-14-17(20-7-5-6-11-26-20)8-9-21(18)28-22(19)25/h5-9,11,14-16H,10,12-13H2,1-4H3,(H2,25,28)(H,27,29)
InChIKeyYAVGLIGWVADBJS-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.61
Rot. Bonds6

About 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide

3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 53238006) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID53238006
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(Cc1cc2cc(-c3ccccn3)ccc2nc1N)C(=O)NCCC(C)(C)C
InChIInChI=1S/C24H30N4O/c1-16(23(29)27-12-10-24(2,3)4)13-19-15-18-14-17(20-7-5-6-11-26-20)8-9-21(18)28-22(19)25/h5-9,11,14-16H,10,12-13H2,1-4H3,(H2,25,28)(H,27,29)
InChIKeyYAVGLIGWVADBJS-UHFFFAOYSA-N
XLogP4.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 53238006) is 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide is CC(Cc1cc2cc(-c3ccccn3)ccc2nc1N)C(=O)NCCC(C)(C)C.
What is the InChIKey of 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is YAVGLIGWVADBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-16(23(29)27-12-10-24(2,3)4)13-19-15-18-14-17(20-7-5-6-11-26-20)8-9-21(18)28-22(19)25/h5-9,11,14-16H,10,12-13H2,1-4H3,(H2,25,28)(H,27,29).
What are the key properties of 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 390.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-pyridin-2-ylquinolin-3-yl)-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 53238006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).