(2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

C25H32N4O — CID 53465991

IUPAC(2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCc1cccnc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1
InChIInChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1
InChIKeyZVOWIRUWKAUSAB-QGZVFWFLSA-N
MW404.56 g/mol
LogP4.92
Rot. Bonds6

About (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

(2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 53465991) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID53465991
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name(2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCc1cccnc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1
InChIInChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1
InChIKeyZVOWIRUWKAUSAB-QGZVFWFLSA-N
XLogP4.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 53465991) is (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is Cc1cccnc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1.
What is the InChIKey of (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is ZVOWIRUWKAUSAB-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1.
What are the key properties of (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
(2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 404.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-amino-6-(3-methyl-2-pyridinyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 53465991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).